USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 41 TYR OH : rot 40:sc= 0.984 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 1.15 K(o=2.1,f=-6.1!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.207 K(o=0.21,f=-0.86) USER MOD Set 3.1: A 24 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 3.2: A 27 TYR OH : rot -114:sc= 0.176 USER MOD Set 3.3: A 60 HIS : no HD1:sc= -0.163 X(o=0.013,f=-0.13) USER MOD Single : A 14 THR OG1 : rot 114:sc= 1.3 USER MOD Single : A 16 SER OG : rot 180:sc= 0.221 USER MOD Single : A 21 SER OG : rot 2:sc= 0.964 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 1.3 (180deg=-1.81) USER MOD Single : A 25 GLN : amide:sc= -1.65 K(o=-1.6,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.957 K(o=0.96,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.855 USER MOD Single : A 30 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.33) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -155:sc= 0.816 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.11) USER MOD Single : A 44 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.4!) USER MOD Single : A 45 MET CE :methyl -128:sc= -1.59 (180deg=-1.74) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00127 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.07) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 33:sc= 0.848 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.13 (180deg=0.777) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 76 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0045) USER MOD Single : A 77 THR OG1 : rot 48:sc= 0.311 USER MOD Single : B 29 MET CE :methyl -177:sc= -0.234 (180deg=-0.283) USER MOD Single : B 30 SER OG : rot -95:sc= 1.36 USER MOD Single : B 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : B 48 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.2!) USER MOD Single : B 57 SER OG : rot -82:sc= 1.37 USER MOD Single : B 60 THR OG1 : rot -87:sc= 2.27 USER MOD Single : B 70 GLN : amide:sc= 1.17 K(o=1.2,f=-0.93) USER MOD Single : B 75 LYS NZ :NH3+ 168:sc= 2.39 (180deg=1.89) USER MOD Single : B 81 THR OG1 : rot 78:sc= 0.432 USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.815 -7.879 7.515 1.00 0.00 N ATOM 2 CA THR A 14 -15.221 -6.504 7.869 1.00 0.00 C ATOM 3 C THR A 14 -14.351 -5.473 7.148 1.00 0.00 C ATOM 4 O THR A 14 -13.160 -5.695 6.933 1.00 0.00 O ATOM 5 CB THR A 14 -15.128 -6.291 9.391 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.435 -7.518 10.064 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.089 -5.205 9.853 1.00 0.00 C ATOM 0 HA THR A 14 -16.255 -6.368 7.552 1.00 0.00 H new ATOM 0 HB THR A 14 -14.113 -5.976 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.635 -7.847 10.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.001 -5.076 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.845 -4.267 9.355 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.110 -5.493 9.604 1.00 0.00 H new ATOM 15 N VAL A 15 -14.967 -4.347 6.785 1.00 0.00 N ATOM 16 CA VAL A 15 -14.280 -3.258 6.078 1.00 0.00 C ATOM 17 C VAL A 15 -13.001 -2.830 6.801 1.00 0.00 C ATOM 18 O VAL A 15 -11.966 -2.599 6.172 1.00 0.00 O ATOM 19 CB VAL A 15 -15.198 -2.025 5.918 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.587 -1.014 4.958 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.582 -2.443 5.448 1.00 0.00 C ATOM 0 H VAL A 15 -15.953 -4.162 6.971 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.019 -3.647 5.094 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.297 -1.549 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.252 -0.156 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.622 -0.684 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.449 -1.477 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.212 -1.560 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.502 -2.950 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.025 -3.120 6.179 1.00 0.00 H new ATOM 31 N SER A 16 -13.082 -2.743 8.122 1.00 0.00 N ATOM 32 CA SER A 16 -11.955 -2.344 8.953 1.00 0.00 C ATOM 33 C SER A 16 -10.736 -3.246 8.736 1.00 0.00 C ATOM 34 O SER A 16 -9.606 -2.762 8.678 1.00 0.00 O ATOM 35 CB SER A 16 -12.392 -2.381 10.415 1.00 0.00 C ATOM 36 OG SER A 16 -13.767 -2.725 10.506 1.00 0.00 O ATOM 0 H SER A 16 -13.932 -2.947 8.648 1.00 0.00 H new ATOM 0 HA SER A 16 -11.654 -1.334 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.791 -3.106 10.964 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.221 -1.409 10.878 1.00 0.00 H new ATOM 0 HG SER A 16 -14.037 -2.748 11.448 1.00 0.00 H new ATOM 42 N GLU A 17 -10.976 -4.549 8.599 1.00 0.00 N ATOM 43 CA GLU A 17 -9.899 -5.516 8.395 1.00 0.00 C ATOM 44 C GLU A 17 -9.145 -5.247 7.092 1.00 0.00 C ATOM 45 O GLU A 17 -7.917 -5.279 7.062 1.00 0.00 O ATOM 46 CB GLU A 17 -10.455 -6.939 8.387 1.00 0.00 C ATOM 47 CG GLU A 17 -11.061 -7.368 9.714 1.00 0.00 C ATOM 48 CD GLU A 17 -12.264 -8.267 9.533 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.470 -8.774 8.410 1.00 0.00 O ATOM 50 OE2 GLU A 17 -13.026 -8.453 10.500 1.00 0.00 O ATOM 0 H GLU A 17 -11.909 -4.960 8.626 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.198 -5.408 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.214 -7.018 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.655 -7.630 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.307 -7.889 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.353 -6.484 10.280 1.00 0.00 H new ATOM 57 N TRP A 18 -9.879 -4.968 6.024 1.00 0.00 N ATOM 58 CA TRP A 18 -9.256 -4.697 4.732 1.00 0.00 C ATOM 59 C TRP A 18 -8.459 -3.398 4.811 1.00 0.00 C ATOM 60 O TRP A 18 -7.312 -3.318 4.365 1.00 0.00 O ATOM 61 CB TRP A 18 -10.326 -4.618 3.628 1.00 0.00 C ATOM 62 CG TRP A 18 -9.911 -3.792 2.443 1.00 0.00 C ATOM 63 CD1 TRP A 18 -8.871 -4.035 1.589 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.530 -2.583 1.986 1.00 0.00 C ATOM 65 NE1 TRP A 18 -8.799 -3.043 0.640 1.00 0.00 N ATOM 66 CE2 TRP A 18 -9.810 -2.147 0.856 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.623 -1.828 2.420 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.147 -0.990 0.159 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.957 -0.680 1.727 1.00 0.00 C ATOM 70 CH2 TRP A 18 -11.222 -0.272 0.605 1.00 0.00 C ATOM 0 H TRP A 18 -10.898 -4.923 6.023 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.575 -5.511 4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.563 -5.627 3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.240 -4.200 4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -8.204 -4.882 1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.104 -2.984 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.196 -2.136 3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.580 -0.671 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.798 -0.087 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -11.511 0.628 0.082 1.00 0.00 H new ATOM 81 N LEU A 19 -9.059 -2.393 5.421 1.00 0.00 N ATOM 82 CA LEU A 19 -8.419 -1.100 5.564 1.00 0.00 C ATOM 83 C LEU A 19 -7.168 -1.179 6.437 1.00 0.00 C ATOM 84 O LEU A 19 -6.234 -0.394 6.265 1.00 0.00 O ATOM 85 CB LEU A 19 -9.397 -0.088 6.153 1.00 0.00 C ATOM 86 CG LEU A 19 -10.431 0.466 5.172 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.468 1.290 5.915 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.749 1.305 4.099 1.00 0.00 C ATOM 0 H LEU A 19 -9.993 -2.449 5.827 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.114 -0.775 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.923 -0.557 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.828 0.745 6.565 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.935 -0.369 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.199 1.679 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.973 0.663 6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.977 2.120 6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.499 1.692 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.223 2.137 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.037 0.687 3.552 1.00 0.00 H new ATOM 100 N GLU A 20 -7.135 -2.122 7.367 1.00 0.00 N ATOM 101 CA GLU A 20 -5.980 -2.253 8.239 1.00 0.00 C ATOM 102 C GLU A 20 -4.894 -3.090 7.584 1.00 0.00 C ATOM 103 O GLU A 20 -3.712 -2.788 7.742 1.00 0.00 O ATOM 104 CB GLU A 20 -6.354 -2.840 9.602 1.00 0.00 C ATOM 105 CG GLU A 20 -6.481 -4.356 9.622 1.00 0.00 C ATOM 106 CD GLU A 20 -5.177 -5.052 9.974 1.00 0.00 C ATOM 107 OE1 GLU A 20 -4.385 -4.490 10.762 1.00 0.00 O ATOM 108 OE2 GLU A 20 -4.936 -6.160 9.455 1.00 0.00 O ATOM 0 H GLU A 20 -7.881 -2.797 7.535 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.594 -1.248 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.601 -2.541 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.300 -2.404 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.246 -4.642 10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.819 -4.701 8.645 1.00 0.00 H new ATOM 115 N SER A 21 -5.279 -4.149 6.867 1.00 0.00 N ATOM 116 CA SER A 21 -4.294 -4.993 6.204 1.00 0.00 C ATOM 117 C SER A 21 -3.376 -4.135 5.327 1.00 0.00 C ATOM 118 O SER A 21 -2.179 -4.387 5.242 1.00 0.00 O ATOM 119 CB SER A 21 -4.964 -6.101 5.373 1.00 0.00 C ATOM 120 OG SER A 21 -6.033 -5.602 4.594 1.00 0.00 O ATOM 0 H SER A 21 -6.249 -4.435 6.735 1.00 0.00 H new ATOM 0 HA SER A 21 -3.695 -5.483 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.224 -6.563 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.333 -6.881 6.039 1.00 0.00 H new ATOM 0 HG SER A 21 -6.108 -4.634 4.724 1.00 0.00 H new ATOM 126 N ILE A 22 -3.945 -3.084 4.723 1.00 0.00 N ATOM 127 CA ILE A 22 -3.182 -2.185 3.854 1.00 0.00 C ATOM 128 C ILE A 22 -2.635 -0.964 4.610 1.00 0.00 C ATOM 129 O ILE A 22 -2.056 -0.073 3.993 1.00 0.00 O ATOM 130 CB ILE A 22 -4.013 -1.665 2.653 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.322 -1.017 3.116 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.287 -2.767 1.648 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.160 -0.438 1.983 1.00 0.00 C ATOM 0 H ILE A 22 -4.930 -2.837 4.821 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.355 -2.794 3.488 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.416 -0.900 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.915 -1.760 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.091 -0.223 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.872 -2.367 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.342 -3.158 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.844 -3.570 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.070 0.002 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.587 0.330 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.423 -1.231 1.283 1.00 0.00 H new ATOM 145 N LYS A 23 -2.843 -0.917 5.929 1.00 0.00 N ATOM 146 CA LYS A 23 -2.362 0.200 6.763 1.00 0.00 C ATOM 147 C LYS A 23 -2.963 1.535 6.314 1.00 0.00 C ATOM 148 O LYS A 23 -2.283 2.555 6.289 1.00 0.00 O ATOM 149 CB LYS A 23 -0.829 0.293 6.736 1.00 0.00 C ATOM 150 CG LYS A 23 -0.133 -0.495 7.841 1.00 0.00 C ATOM 151 CD LYS A 23 -0.228 0.210 9.192 1.00 0.00 C ATOM 152 CE LYS A 23 -0.147 -0.776 10.353 1.00 0.00 C ATOM 153 NZ LYS A 23 1.058 -1.647 10.281 1.00 0.00 N ATOM 0 H LYS A 23 -3.342 -1.639 6.448 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.687 -0.004 7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.472 -0.065 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.539 1.341 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.581 -1.486 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.915 -0.638 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.577 0.940 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.166 0.762 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.137 -0.225 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.041 -1.399 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.765 -2.645 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.586 -1.437 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.666 -1.468 11.106 1.00 0.00 H new ATOM 167 N MET A 24 -4.239 1.518 5.966 1.00 0.00 N ATOM 168 CA MET A 24 -4.942 2.722 5.528 1.00 0.00 C ATOM 169 C MET A 24 -6.220 2.850 6.339 1.00 0.00 C ATOM 170 O MET A 24 -7.232 3.385 5.884 1.00 0.00 O ATOM 171 CB MET A 24 -5.268 2.647 4.030 1.00 0.00 C ATOM 172 CG MET A 24 -4.041 2.684 3.132 1.00 0.00 C ATOM 173 SD MET A 24 -3.089 4.203 3.307 1.00 0.00 S ATOM 174 CE MET A 24 -1.436 3.580 3.018 1.00 0.00 C ATOM 0 H MET A 24 -4.817 0.678 5.977 1.00 0.00 H new ATOM 0 HA MET A 24 -4.308 3.595 5.686 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.823 1.729 3.834 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.923 3.478 3.768 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.402 1.832 3.364 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.354 2.575 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.717 4.392 3.126 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.211 2.797 3.742 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.372 3.171 2.010 1.00 0.00 H new ATOM 184 N GLN A 25 -6.132 2.369 7.566 1.00 0.00 N ATOM 185 CA GLN A 25 -7.264 2.338 8.483 1.00 0.00 C ATOM 186 C GLN A 25 -7.689 3.724 8.974 1.00 0.00 C ATOM 187 O GLN A 25 -8.767 3.873 9.552 1.00 0.00 O ATOM 188 CB GLN A 25 -6.944 1.424 9.668 1.00 0.00 C ATOM 189 CG GLN A 25 -5.716 1.846 10.459 1.00 0.00 C ATOM 190 CD GLN A 25 -5.460 0.955 11.660 1.00 0.00 C ATOM 191 OE1 GLN A 25 -4.885 1.389 12.656 1.00 0.00 O ATOM 192 NE2 GLN A 25 -5.889 -0.292 11.575 1.00 0.00 N ATOM 0 H GLN A 25 -5.272 1.987 7.959 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.113 1.943 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.804 1.399 10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.796 0.408 9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.844 1.828 9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.841 2.875 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.362 -0.612 10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.747 -0.934 12.355 1.00 0.00 H new ATOM 201 N GLN A 26 -6.876 4.746 8.743 1.00 0.00 N ATOM 202 CA GLN A 26 -7.218 6.095 9.179 1.00 0.00 C ATOM 203 C GLN A 26 -8.197 6.765 8.211 1.00 0.00 C ATOM 204 O GLN A 26 -8.589 7.914 8.407 1.00 0.00 O ATOM 205 CB GLN A 26 -5.952 6.954 9.327 1.00 0.00 C ATOM 206 CG GLN A 26 -5.144 7.145 8.041 1.00 0.00 C ATOM 207 CD GLN A 26 -4.089 6.064 7.809 1.00 0.00 C ATOM 208 OE1 GLN A 26 -4.284 4.894 8.142 1.00 0.00 O ATOM 209 NE2 GLN A 26 -2.959 6.453 7.241 1.00 0.00 N ATOM 0 H GLN A 26 -5.981 4.669 8.260 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.705 6.012 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.239 7.935 9.706 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.308 6.498 10.078 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.828 7.160 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.653 8.118 8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.831 7.430 6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.216 5.776 7.066 1.00 0.00 H new ATOM 218 N TYR A 27 -8.598 6.046 7.172 1.00 0.00 N ATOM 219 CA TYR A 27 -9.522 6.595 6.186 1.00 0.00 C ATOM 220 C TYR A 27 -10.917 5.989 6.338 1.00 0.00 C ATOM 221 O TYR A 27 -11.826 6.318 5.574 1.00 0.00 O ATOM 222 CB TYR A 27 -8.998 6.339 4.772 1.00 0.00 C ATOM 223 CG TYR A 27 -7.600 6.868 4.518 1.00 0.00 C ATOM 224 CD1 TYR A 27 -7.379 8.196 4.164 1.00 0.00 C ATOM 225 CD2 TYR A 27 -6.501 6.029 4.614 1.00 0.00 C ATOM 226 CE1 TYR A 27 -6.099 8.662 3.914 1.00 0.00 C ATOM 227 CE2 TYR A 27 -5.224 6.488 4.371 1.00 0.00 C ATOM 228 CZ TYR A 27 -5.027 7.801 4.018 1.00 0.00 C ATOM 229 OH TYR A 27 -3.751 8.253 3.767 1.00 0.00 O ATOM 0 H TYR A 27 -8.301 5.087 6.989 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.594 7.669 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.007 5.266 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.682 6.795 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.217 8.872 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.648 4.994 4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.941 9.694 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.382 5.818 4.458 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.397 7.808 2.969 1.00 0.00 H new ATOM 239 N THR A 28 -11.081 5.136 7.345 1.00 0.00 N ATOM 240 CA THR A 28 -12.359 4.472 7.609 1.00 0.00 C ATOM 241 C THR A 28 -13.458 5.506 7.881 1.00 0.00 C ATOM 242 O THR A 28 -14.620 5.308 7.518 1.00 0.00 O ATOM 243 CB THR A 28 -12.231 3.512 8.813 1.00 0.00 C ATOM 244 OG1 THR A 28 -11.026 2.748 8.696 1.00 0.00 O ATOM 245 CG2 THR A 28 -13.417 2.562 8.908 1.00 0.00 C ATOM 0 H THR A 28 -10.339 4.885 7.998 1.00 0.00 H new ATOM 0 HA THR A 28 -12.631 3.895 6.725 1.00 0.00 H new ATOM 0 HB THR A 28 -12.208 4.120 9.718 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.275 3.264 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.288 1.904 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.335 3.137 9.026 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.478 1.964 7.999 1.00 0.00 H new ATOM 253 N GLU A 29 -13.058 6.632 8.473 1.00 0.00 N ATOM 254 CA GLU A 29 -13.984 7.708 8.802 1.00 0.00 C ATOM 255 C GLU A 29 -14.667 8.231 7.552 1.00 0.00 C ATOM 256 O GLU A 29 -15.881 8.440 7.537 1.00 0.00 O ATOM 257 CB GLU A 29 -13.266 8.872 9.479 1.00 0.00 C ATOM 258 CG GLU A 29 -13.111 8.727 10.982 1.00 0.00 C ATOM 259 CD GLU A 29 -11.825 8.040 11.390 1.00 0.00 C ATOM 260 OE1 GLU A 29 -11.236 7.312 10.565 1.00 0.00 O ATOM 261 OE2 GLU A 29 -11.400 8.218 12.552 1.00 0.00 O ATOM 0 H GLU A 29 -12.090 6.820 8.735 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.724 7.292 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.277 8.981 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.813 9.791 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.148 9.715 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.956 8.162 11.374 1.00 0.00 H new ATOM 268 N HIS A 30 -13.888 8.438 6.495 1.00 0.00 N ATOM 269 CA HIS A 30 -14.429 8.959 5.244 1.00 0.00 C ATOM 270 C HIS A 30 -15.244 7.901 4.530 1.00 0.00 C ATOM 271 O HIS A 30 -16.285 8.193 3.952 1.00 0.00 O ATOM 272 CB HIS A 30 -13.300 9.432 4.320 1.00 0.00 C ATOM 273 CG HIS A 30 -12.216 10.185 5.022 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.938 9.705 5.188 1.00 0.00 N ATOM 275 CD2 HIS A 30 -12.243 11.401 5.618 1.00 0.00 C ATOM 276 CE1 HIS A 30 -10.240 10.621 5.868 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.986 11.672 6.153 1.00 0.00 N ATOM 0 H HIS A 30 -12.885 8.254 6.479 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.072 9.804 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.864 8.565 3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.723 10.066 3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.101 12.055 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.202 10.515 6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.701 12.510 6.660 1.00 0.00 H new ATOM 285 N PHE A 31 -14.763 6.673 4.579 1.00 0.00 N ATOM 286 CA PHE A 31 -15.440 5.559 3.933 1.00 0.00 C ATOM 287 C PHE A 31 -16.861 5.396 4.461 1.00 0.00 C ATOM 288 O PHE A 31 -17.826 5.289 3.697 1.00 0.00 O ATOM 289 CB PHE A 31 -14.656 4.269 4.184 1.00 0.00 C ATOM 290 CG PHE A 31 -13.633 3.943 3.135 1.00 0.00 C ATOM 291 CD1 PHE A 31 -13.993 3.229 2.008 1.00 0.00 C ATOM 292 CD2 PHE A 31 -12.311 4.328 3.287 1.00 0.00 C ATOM 293 CE1 PHE A 31 -13.056 2.905 1.049 1.00 0.00 C ATOM 294 CE2 PHE A 31 -11.366 4.004 2.333 1.00 0.00 C ATOM 295 CZ PHE A 31 -11.739 3.292 1.211 1.00 0.00 C ATOM 0 H PHE A 31 -13.901 6.419 5.062 1.00 0.00 H new ATOM 0 HA PHE A 31 -15.491 5.765 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -14.155 4.346 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.360 3.440 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.020 2.921 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.016 4.888 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.351 2.349 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.338 4.307 2.465 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.004 3.038 0.462 1.00 0.00 H new ATOM 305 N MET A 32 -16.976 5.415 5.776 1.00 0.00 N ATOM 306 CA MET A 32 -18.254 5.238 6.442 1.00 0.00 C ATOM 307 C MET A 32 -19.189 6.416 6.203 1.00 0.00 C ATOM 308 O MET A 32 -20.407 6.245 6.155 1.00 0.00 O ATOM 309 CB MET A 32 -18.051 5.028 7.946 1.00 0.00 C ATOM 310 CG MET A 32 -17.233 3.790 8.300 1.00 0.00 C ATOM 311 SD MET A 32 -18.143 2.255 8.043 1.00 0.00 S ATOM 312 CE MET A 32 -16.802 1.071 7.954 1.00 0.00 C ATOM 0 H MET A 32 -16.190 5.553 6.411 1.00 0.00 H new ATOM 0 HA MET A 32 -18.720 4.351 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 32 -17.557 5.907 8.361 1.00 0.00 H new ATOM 0 HB3 MET A 32 -19.027 4.954 8.426 1.00 0.00 H new ATOM 0 HG2 MET A 32 -16.326 3.775 7.696 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.921 3.852 9.343 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.209 0.072 7.797 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.143 1.329 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.237 1.090 8.886 1.00 0.00 H new ATOM 322 N ALA A 33 -18.626 7.606 6.038 1.00 0.00 N ATOM 323 CA ALA A 33 -19.422 8.802 5.817 1.00 0.00 C ATOM 324 C ALA A 33 -19.854 8.922 4.360 1.00 0.00 C ATOM 325 O ALA A 33 -20.810 9.628 4.048 1.00 0.00 O ATOM 326 CB ALA A 33 -18.637 10.035 6.235 1.00 0.00 C ATOM 0 H ALA A 33 -17.619 7.767 6.053 1.00 0.00 H new ATOM 0 HA ALA A 33 -20.322 8.725 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -19.242 10.926 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.384 9.964 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.722 10.100 5.647 1.00 0.00 H new ATOM 332 N ALA A 34 -19.150 8.227 3.471 1.00 0.00 N ATOM 333 CA ALA A 34 -19.466 8.264 2.047 1.00 0.00 C ATOM 334 C ALA A 34 -20.569 7.265 1.704 1.00 0.00 C ATOM 335 O ALA A 34 -20.967 7.131 0.546 1.00 0.00 O ATOM 336 CB ALA A 34 -18.219 7.987 1.221 1.00 0.00 C ATOM 0 H ALA A 34 -18.357 7.632 3.712 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.830 9.263 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -18.471 8.018 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -17.464 8.743 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.828 7.001 1.472 1.00 0.00 H new ATOM 342 N GLY A 35 -21.051 6.559 2.719 1.00 0.00 N ATOM 343 CA GLY A 35 -22.108 5.591 2.510 1.00 0.00 C ATOM 344 C GLY A 35 -21.590 4.177 2.368 1.00 0.00 C ATOM 345 O GLY A 35 -22.365 3.221 2.378 1.00 0.00 O ATOM 0 H GLY A 35 -20.728 6.640 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.805 5.635 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.668 5.859 1.614 1.00 0.00 H new ATOM 349 N TYR A 36 -20.279 4.029 2.244 1.00 0.00 N ATOM 350 CA TYR A 36 -19.679 2.713 2.103 1.00 0.00 C ATOM 351 C TYR A 36 -19.375 2.134 3.476 1.00 0.00 C ATOM 352 O TYR A 36 -18.228 2.095 3.917 1.00 0.00 O ATOM 353 CB TYR A 36 -18.411 2.802 1.244 1.00 0.00 C ATOM 354 CG TYR A 36 -18.648 3.478 -0.090 1.00 0.00 C ATOM 355 CD1 TYR A 36 -19.448 2.880 -1.052 1.00 0.00 C ATOM 356 CD2 TYR A 36 -18.087 4.716 -0.382 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.685 3.492 -2.267 1.00 0.00 C ATOM 358 CE2 TYR A 36 -18.318 5.335 -1.599 1.00 0.00 C ATOM 359 CZ TYR A 36 -19.119 4.717 -2.537 1.00 0.00 C ATOM 360 OH TYR A 36 -19.365 5.326 -3.746 1.00 0.00 O ATOM 0 H TYR A 36 -19.613 4.802 2.238 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.380 2.047 1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.645 3.350 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -18.023 1.798 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.894 1.918 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -17.461 5.203 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -20.312 3.011 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.874 6.296 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.631 5.940 -3.958 1.00 0.00 H new ATOM 370 N THR A 37 -20.427 1.682 4.149 1.00 0.00 N ATOM 371 CA THR A 37 -20.316 1.129 5.485 1.00 0.00 C ATOM 372 C THR A 37 -20.215 -0.398 5.473 1.00 0.00 C ATOM 373 O THR A 37 -20.188 -1.034 6.526 1.00 0.00 O ATOM 374 CB THR A 37 -21.541 1.538 6.322 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.706 1.571 5.481 1.00 0.00 O ATOM 376 CG2 THR A 37 -21.336 2.903 6.959 1.00 0.00 C ATOM 0 H THR A 37 -21.378 1.690 3.780 1.00 0.00 H new ATOM 0 HA THR A 37 -19.400 1.527 5.922 1.00 0.00 H new ATOM 0 HB THR A 37 -21.676 0.805 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 37 -23.487 1.830 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 37 -22.217 3.167 7.545 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.463 2.873 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.182 3.649 6.179 1.00 0.00 H new ATOM 384 N ALA A 38 -20.149 -0.983 4.285 1.00 0.00 N ATOM 385 CA ALA A 38 -20.059 -2.430 4.157 1.00 0.00 C ATOM 386 C ALA A 38 -19.398 -2.810 2.838 1.00 0.00 C ATOM 387 O ALA A 38 -19.396 -2.023 1.887 1.00 0.00 O ATOM 388 CB ALA A 38 -21.432 -3.072 4.283 1.00 0.00 C ATOM 0 H ALA A 38 -20.156 -0.479 3.398 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.438 -2.807 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.338 -4.153 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.858 -2.832 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.085 -2.691 3.498 1.00 0.00 H new ATOM 394 N ILE A 39 -18.861 -4.024 2.793 1.00 0.00 N ATOM 395 CA ILE A 39 -18.154 -4.535 1.619 1.00 0.00 C ATOM 396 C ILE A 39 -18.976 -4.431 0.331 1.00 0.00 C ATOM 397 O ILE A 39 -18.445 -4.033 -0.706 1.00 0.00 O ATOM 398 CB ILE A 39 -17.714 -6.001 1.838 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.780 -6.103 3.051 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.033 -6.561 0.592 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.510 -5.283 2.922 1.00 0.00 C ATOM 0 H ILE A 39 -18.902 -4.684 3.569 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.276 -3.901 1.496 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.606 -6.597 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.320 -5.780 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.512 -7.148 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.734 -7.593 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.727 -6.527 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.152 -5.963 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.903 -5.408 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.946 -5.620 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.767 -4.231 2.802 1.00 0.00 H new ATOM 413 N GLU A 40 -20.267 -4.762 0.398 1.00 0.00 N ATOM 414 CA GLU A 40 -21.138 -4.713 -0.785 1.00 0.00 C ATOM 415 C GLU A 40 -21.128 -3.330 -1.423 1.00 0.00 C ATOM 416 O GLU A 40 -21.139 -3.199 -2.644 1.00 0.00 O ATOM 417 CB GLU A 40 -22.589 -5.079 -0.440 1.00 0.00 C ATOM 418 CG GLU A 40 -22.736 -6.180 0.593 1.00 0.00 C ATOM 419 CD GLU A 40 -22.554 -5.663 1.999 1.00 0.00 C ATOM 420 OE1 GLU A 40 -23.410 -4.882 2.462 1.00 0.00 O ATOM 421 OE2 GLU A 40 -21.531 -6.008 2.626 1.00 0.00 O ATOM 0 H GLU A 40 -20.734 -5.066 1.253 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.740 -5.445 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.098 -4.187 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -23.099 -5.386 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.721 -6.636 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.003 -6.962 0.396 1.00 0.00 H new ATOM 428 N LYS A 41 -21.109 -2.299 -0.592 1.00 0.00 N ATOM 429 CA LYS A 41 -21.103 -0.934 -1.085 1.00 0.00 C ATOM 430 C LYS A 41 -19.698 -0.540 -1.522 1.00 0.00 C ATOM 431 O LYS A 41 -19.519 0.148 -2.525 1.00 0.00 O ATOM 432 CB LYS A 41 -21.617 0.033 -0.011 1.00 0.00 C ATOM 433 CG LYS A 41 -23.003 -0.314 0.516 1.00 0.00 C ATOM 434 CD LYS A 41 -22.925 -1.061 1.836 1.00 0.00 C ATOM 435 CE LYS A 41 -24.305 -1.422 2.368 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.796 -2.717 1.824 1.00 0.00 N ATOM 0 H LYS A 41 -21.098 -2.383 0.424 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.769 -0.875 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.914 0.043 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.637 1.042 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.583 0.600 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.530 -0.924 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.338 -1.970 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.402 -0.447 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.270 -1.477 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.010 -0.631 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.654 -3.006 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.016 -2.608 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.062 -3.444 1.942 1.00 0.00 H new ATOM 450 N VAL A 42 -18.703 -1.002 -0.772 1.00 0.00 N ATOM 451 CA VAL A 42 -17.306 -0.704 -1.069 1.00 0.00 C ATOM 452 C VAL A 42 -16.914 -1.212 -2.458 1.00 0.00 C ATOM 453 O VAL A 42 -16.266 -0.503 -3.224 1.00 0.00 O ATOM 454 CB VAL A 42 -16.361 -1.317 -0.008 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.904 -1.174 -0.421 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.589 -0.667 1.350 1.00 0.00 C ATOM 0 H VAL A 42 -18.840 -1.588 0.051 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.201 0.381 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.590 -2.380 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.264 -1.614 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.742 -1.688 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.660 -0.118 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.916 -1.111 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.394 0.403 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.621 -0.827 1.661 1.00 0.00 H new ATOM 466 N VAL A 43 -17.336 -2.425 -2.793 1.00 0.00 N ATOM 467 CA VAL A 43 -17.005 -3.011 -4.090 1.00 0.00 C ATOM 468 C VAL A 43 -17.829 -2.397 -5.225 1.00 0.00 C ATOM 469 O VAL A 43 -17.580 -2.674 -6.398 1.00 0.00 O ATOM 470 CB VAL A 43 -17.190 -4.545 -4.099 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.268 -5.203 -3.084 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.639 -4.926 -3.834 1.00 0.00 C ATOM 0 H VAL A 43 -17.904 -3.020 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.952 -2.784 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.925 -4.908 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.414 -6.283 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.232 -4.972 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.497 -4.827 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.738 -6.011 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.943 -4.545 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.276 -4.495 -4.606 1.00 0.00 H new ATOM 482 N GLN A 44 -18.804 -1.565 -4.884 1.00 0.00 N ATOM 483 CA GLN A 44 -19.639 -0.930 -5.895 1.00 0.00 C ATOM 484 C GLN A 44 -19.015 0.373 -6.376 1.00 0.00 C ATOM 485 O GLN A 44 -19.330 0.855 -7.465 1.00 0.00 O ATOM 486 CB GLN A 44 -21.046 -0.669 -5.359 1.00 0.00 C ATOM 487 CG GLN A 44 -21.929 -1.904 -5.353 1.00 0.00 C ATOM 488 CD GLN A 44 -23.400 -1.570 -5.495 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.769 -0.599 -6.157 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.250 -2.370 -4.871 1.00 0.00 N ATOM 0 H GLN A 44 -19.035 -1.315 -3.922 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.711 -1.615 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.973 -0.279 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.520 0.104 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.630 -2.564 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.773 -2.453 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.902 -3.164 -4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -25.253 -2.193 -4.928 1.00 0.00 H new ATOM 499 N MET A 45 -18.151 0.944 -5.546 1.00 0.00 N ATOM 500 CA MET A 45 -17.467 2.192 -5.878 1.00 0.00 C ATOM 501 C MET A 45 -16.493 2.005 -7.045 1.00 0.00 C ATOM 502 O MET A 45 -16.293 0.892 -7.544 1.00 0.00 O ATOM 503 CB MET A 45 -16.718 2.731 -4.651 1.00 0.00 C ATOM 504 CG MET A 45 -15.332 2.129 -4.452 1.00 0.00 C ATOM 505 SD MET A 45 -14.384 2.961 -3.162 1.00 0.00 S ATOM 506 CE MET A 45 -15.399 2.626 -1.727 1.00 0.00 C ATOM 0 H MET A 45 -17.905 0.562 -4.633 1.00 0.00 H new ATOM 0 HA MET A 45 -18.224 2.914 -6.183 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.622 3.813 -4.744 1.00 0.00 H new ATOM 0 HB3 MET A 45 -17.317 2.539 -3.760 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.433 1.074 -4.198 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.781 2.180 -5.391 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.613 3.560 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.334 2.164 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.869 1.950 -1.056 1.00 0.00 H new ATOM 516 N THR A 46 -15.863 3.094 -7.446 1.00 0.00 N ATOM 517 CA THR A 46 -14.914 3.074 -8.539 1.00 0.00 C ATOM 518 C THR A 46 -13.661 3.852 -8.138 1.00 0.00 C ATOM 519 O THR A 46 -13.588 4.386 -7.030 1.00 0.00 O ATOM 520 CB THR A 46 -15.528 3.658 -9.834 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.675 3.386 -10.955 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.750 5.159 -9.715 1.00 0.00 C ATOM 0 H THR A 46 -15.995 4.013 -7.024 1.00 0.00 H new ATOM 0 HA THR A 46 -14.646 2.038 -8.747 1.00 0.00 H new ATOM 0 HB THR A 46 -16.495 3.179 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.075 3.759 -11.768 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.182 5.537 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.430 5.362 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.797 5.654 -9.530 1.00 0.00 H new ATOM 530 N ASN A 47 -12.678 3.904 -9.030 1.00 0.00 N ATOM 531 CA ASN A 47 -11.422 4.611 -8.767 1.00 0.00 C ATOM 532 C ASN A 47 -11.666 6.066 -8.383 1.00 0.00 C ATOM 533 O ASN A 47 -10.984 6.612 -7.519 1.00 0.00 O ATOM 534 CB ASN A 47 -10.505 4.556 -9.989 1.00 0.00 C ATOM 535 CG ASN A 47 -9.793 3.225 -10.130 1.00 0.00 C ATOM 536 OD1 ASN A 47 -10.372 2.162 -9.897 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.529 3.276 -10.513 1.00 0.00 N ATOM 0 H ASN A 47 -12.724 3.463 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.940 4.108 -7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.093 4.745 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.765 5.353 -9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.995 2.414 -10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.087 4.177 -10.696 1.00 0.00 H new ATOM 544 N ASP A 48 -12.640 6.688 -9.038 1.00 0.00 N ATOM 545 CA ASP A 48 -12.992 8.079 -8.771 1.00 0.00 C ATOM 546 C ASP A 48 -13.408 8.281 -7.317 1.00 0.00 C ATOM 547 O ASP A 48 -13.051 9.283 -6.696 1.00 0.00 O ATOM 548 CB ASP A 48 -14.121 8.514 -9.707 1.00 0.00 C ATOM 549 CG ASP A 48 -14.740 9.842 -9.314 1.00 0.00 C ATOM 550 OD1 ASP A 48 -14.113 10.892 -9.559 1.00 0.00 O ATOM 551 OD2 ASP A 48 -15.873 9.837 -8.785 1.00 0.00 O ATOM 0 H ASP A 48 -13.205 6.247 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.110 8.694 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.735 8.586 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.895 7.747 -9.714 1.00 0.00 H new ATOM 556 N ASP A 49 -14.149 7.319 -6.773 1.00 0.00 N ATOM 557 CA ASP A 49 -14.615 7.392 -5.388 1.00 0.00 C ATOM 558 C ASP A 49 -13.449 7.503 -4.416 1.00 0.00 C ATOM 559 O ASP A 49 -13.530 8.229 -3.427 1.00 0.00 O ATOM 560 CB ASP A 49 -15.455 6.168 -5.030 1.00 0.00 C ATOM 561 CG ASP A 49 -16.802 6.167 -5.714 1.00 0.00 C ATOM 562 OD1 ASP A 49 -17.698 6.915 -5.274 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.970 5.419 -6.692 1.00 0.00 O ATOM 0 H ASP A 49 -14.441 6.478 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.230 8.288 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.911 5.265 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.600 6.135 -3.950 1.00 0.00 H new ATOM 568 N ILE A 50 -12.362 6.805 -4.708 1.00 0.00 N ATOM 569 CA ILE A 50 -11.163 6.833 -3.876 1.00 0.00 C ATOM 570 C ILE A 50 -10.632 8.239 -3.739 1.00 0.00 C ATOM 571 O ILE A 50 -9.995 8.587 -2.740 1.00 0.00 O ATOM 572 CB ILE A 50 -10.060 5.837 -4.420 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.470 4.330 -4.389 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.694 5.983 -3.680 1.00 0.00 C ATOM 575 CD1 ILE A 50 -10.824 3.757 -3.001 1.00 0.00 C ATOM 0 H ILE A 50 -12.284 6.203 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.439 6.490 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.955 6.138 -5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.328 4.193 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.652 3.742 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.977 5.275 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.317 6.998 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.832 5.778 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.093 2.705 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.964 3.851 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.666 4.309 -2.583 1.00 0.00 H new ATOM 587 N LYS A 51 -10.839 9.046 -4.772 1.00 0.00 N ATOM 588 CA LYS A 51 -10.352 10.422 -4.781 1.00 0.00 C ATOM 589 C LYS A 51 -11.395 11.368 -4.193 1.00 0.00 C ATOM 590 O LYS A 51 -11.078 12.479 -3.766 1.00 0.00 O ATOM 591 CB LYS A 51 -9.999 10.850 -6.211 1.00 0.00 C ATOM 592 CG LYS A 51 -9.103 9.862 -6.945 1.00 0.00 C ATOM 593 CD LYS A 51 -8.464 10.491 -8.176 1.00 0.00 C ATOM 594 CE LYS A 51 -7.478 11.586 -7.795 1.00 0.00 C ATOM 595 NZ LYS A 51 -6.448 11.793 -8.843 1.00 0.00 N ATOM 0 H LYS A 51 -11.342 8.772 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.455 10.472 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.920 10.982 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.503 11.820 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.323 9.507 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.688 8.992 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.950 9.722 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.241 10.907 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.018 12.518 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.992 11.326 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.796 12.547 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.916 10.911 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.909 12.067 -9.734 1.00 0.00 H new ATOM 609 N ARG A 52 -12.641 10.912 -4.181 1.00 0.00 N ATOM 610 CA ARG A 52 -13.744 11.702 -3.655 1.00 0.00 C ATOM 611 C ARG A 52 -13.823 11.589 -2.133 1.00 0.00 C ATOM 612 O ARG A 52 -14.173 12.551 -1.447 1.00 0.00 O ATOM 613 CB ARG A 52 -15.069 11.262 -4.302 1.00 0.00 C ATOM 614 CG ARG A 52 -16.303 11.819 -3.612 1.00 0.00 C ATOM 615 CD ARG A 52 -17.500 11.872 -4.548 1.00 0.00 C ATOM 616 NE ARG A 52 -18.687 12.412 -3.888 1.00 0.00 N ATOM 617 CZ ARG A 52 -18.855 13.701 -3.580 1.00 0.00 C ATOM 618 NH1 ARG A 52 -17.926 14.597 -3.900 1.00 0.00 N ATOM 619 NH2 ARG A 52 -19.960 14.096 -2.962 1.00 0.00 N ATOM 0 H ARG A 52 -12.913 9.994 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.565 12.748 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.075 11.576 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.121 10.173 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.545 11.201 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.089 12.821 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.256 12.486 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.715 10.870 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.436 11.763 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.078 14.302 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.061 15.579 -3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.681 13.416 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.089 15.080 -2.727 1.00 0.00 H new ATOM 633 N ILE A 53 -13.486 10.414 -1.615 1.00 0.00 N ATOM 634 CA ILE A 53 -13.523 10.163 -0.175 1.00 0.00 C ATOM 635 C ILE A 53 -12.381 10.862 0.561 1.00 0.00 C ATOM 636 O ILE A 53 -12.299 10.792 1.784 1.00 0.00 O ATOM 637 CB ILE A 53 -13.467 8.654 0.146 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.194 8.038 -0.440 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.710 7.947 -0.384 1.00 0.00 C ATOM 640 CD1 ILE A 53 -11.973 6.596 -0.043 1.00 0.00 C ATOM 0 H ILE A 53 -13.182 9.615 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.472 10.572 0.171 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.444 8.525 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.238 8.103 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.336 8.629 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.652 6.884 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.598 8.374 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.769 8.076 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.052 6.231 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.896 6.525 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.812 5.991 -0.387 1.00 0.00 H new ATOM 652 N GLY A 54 -11.498 11.523 -0.175 1.00 0.00 N ATOM 653 CA GLY A 54 -10.397 12.216 0.460 1.00 0.00 C ATOM 654 C GLY A 54 -9.061 11.930 -0.194 1.00 0.00 C ATOM 655 O GLY A 54 -8.583 12.743 -0.984 1.00 0.00 O ATOM 0 H GLY A 54 -11.524 11.591 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.586 13.289 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.350 11.927 1.510 1.00 0.00 H new ATOM 659 N VAL A 55 -8.459 10.791 0.188 1.00 0.00 N ATOM 660 CA VAL A 55 -7.154 10.310 -0.315 1.00 0.00 C ATOM 661 C VAL A 55 -6.718 10.938 -1.639 1.00 0.00 C ATOM 662 O VAL A 55 -7.127 10.498 -2.713 1.00 0.00 O ATOM 663 CB VAL A 55 -7.161 8.775 -0.488 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.740 8.236 -0.569 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.927 8.101 0.642 1.00 0.00 C ATOM 0 H VAL A 55 -8.875 10.160 0.873 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.436 10.617 0.446 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.670 8.545 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.768 7.153 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.229 8.684 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.204 8.484 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.916 7.021 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.457 8.343 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.957 8.456 0.646 1.00 0.00 H new ATOM 675 N ARG A 56 -5.880 11.968 -1.553 1.00 0.00 N ATOM 676 CA ARG A 56 -5.385 12.652 -2.744 1.00 0.00 C ATOM 677 C ARG A 56 -3.995 12.164 -3.142 1.00 0.00 C ATOM 678 O ARG A 56 -3.481 12.549 -4.188 1.00 0.00 O ATOM 679 CB ARG A 56 -5.364 14.174 -2.536 1.00 0.00 C ATOM 680 CG ARG A 56 -5.273 14.612 -1.079 1.00 0.00 C ATOM 681 CD ARG A 56 -3.877 14.416 -0.507 1.00 0.00 C ATOM 682 NE ARG A 56 -3.007 15.559 -0.767 1.00 0.00 N ATOM 683 CZ ARG A 56 -2.074 15.990 0.081 1.00 0.00 C ATOM 684 NH1 ARG A 56 -1.848 15.330 1.212 1.00 0.00 N ATOM 685 NH2 ARG A 56 -1.358 17.068 -0.209 1.00 0.00 N ATOM 0 H ARG A 56 -5.530 12.347 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.073 12.414 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.517 14.591 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.266 14.600 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.553 15.662 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.990 14.045 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.947 14.252 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.433 13.519 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.120 16.057 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.389 14.493 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.134 15.660 1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.521 17.569 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.644 17.396 0.441 1.00 0.00 H new ATOM 699 N LEU A 57 -3.385 11.326 -2.312 1.00 0.00 N ATOM 700 CA LEU A 57 -2.060 10.798 -2.619 1.00 0.00 C ATOM 701 C LEU A 57 -2.184 9.720 -3.692 1.00 0.00 C ATOM 702 O LEU A 57 -2.822 8.696 -3.460 1.00 0.00 O ATOM 703 CB LEU A 57 -1.386 10.220 -1.363 1.00 0.00 C ATOM 704 CG LEU A 57 -0.216 11.039 -0.796 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.455 10.295 0.351 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.805 11.355 -1.880 1.00 0.00 C ATOM 0 H LEU A 57 -3.781 11.000 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.436 11.613 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.141 10.114 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.025 9.218 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.620 11.978 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.281 10.892 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.271 10.121 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.836 9.339 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.622 11.935 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.197 10.425 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.328 11.931 -2.673 1.00 0.00 H new ATOM 718 N PRO A 58 -1.576 9.931 -4.876 1.00 0.00 N ATOM 719 CA PRO A 58 -1.653 8.973 -5.986 1.00 0.00 C ATOM 720 C PRO A 58 -1.116 7.599 -5.608 1.00 0.00 C ATOM 721 O PRO A 58 -1.727 6.581 -5.924 1.00 0.00 O ATOM 722 CB PRO A 58 -0.797 9.606 -7.087 1.00 0.00 C ATOM 723 CG PRO A 58 0.048 10.618 -6.392 1.00 0.00 C ATOM 724 CD PRO A 58 -0.765 11.107 -5.229 1.00 0.00 C ATOM 0 HA PRO A 58 -2.685 8.798 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.183 8.857 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.420 10.071 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.986 10.178 -6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.304 11.439 -7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.133 11.425 -4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.387 11.960 -5.501 1.00 0.00 H new ATOM 732 N GLY A 59 0.027 7.572 -4.933 1.00 0.00 N ATOM 733 CA GLY A 59 0.604 6.304 -4.508 1.00 0.00 C ATOM 734 C GLY A 59 -0.330 5.527 -3.599 1.00 0.00 C ATOM 735 O GLY A 59 -0.508 4.316 -3.759 1.00 0.00 O ATOM 0 H GLY A 59 0.564 8.399 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.839 5.701 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.544 6.490 -3.988 1.00 0.00 H new ATOM 739 N HIS A 60 -0.947 6.237 -2.656 1.00 0.00 N ATOM 740 CA HIS A 60 -1.895 5.634 -1.719 1.00 0.00 C ATOM 741 C HIS A 60 -3.118 5.155 -2.486 1.00 0.00 C ATOM 742 O HIS A 60 -3.820 4.238 -2.067 1.00 0.00 O ATOM 743 CB HIS A 60 -2.321 6.645 -0.634 1.00 0.00 C ATOM 744 CG HIS A 60 -1.351 6.773 0.500 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.540 7.611 1.578 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.174 6.141 0.721 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.494 7.458 2.403 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.364 6.577 1.927 1.00 0.00 N ATOM 0 H HIS A 60 -0.806 7.238 -2.520 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.411 4.792 -1.225 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.453 7.623 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.291 6.347 -0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.277 5.412 0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.370 7.988 3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.240 6.278 2.355 1.00 0.00 H new ATOM 756 N GLN A 61 -3.325 5.761 -3.645 1.00 0.00 N ATOM 757 CA GLN A 61 -4.462 5.435 -4.501 1.00 0.00 C ATOM 758 C GLN A 61 -4.199 4.161 -5.288 1.00 0.00 C ATOM 759 O GLN A 61 -5.108 3.586 -5.877 1.00 0.00 O ATOM 760 CB GLN A 61 -4.738 6.578 -5.479 1.00 0.00 C ATOM 761 CG GLN A 61 -5.606 7.688 -4.919 1.00 0.00 C ATOM 762 CD GLN A 61 -5.466 8.977 -5.708 1.00 0.00 C ATOM 763 OE1 GLN A 61 -5.116 8.970 -6.889 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.753 10.094 -5.066 1.00 0.00 N ATOM 0 H GLN A 61 -2.716 6.488 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.330 5.286 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.787 7.004 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.220 6.171 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.649 7.371 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.335 7.869 -3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.040 10.061 -4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.688 10.990 -5.548 1.00 0.00 H new ATOM 773 N LYS A 62 -2.955 3.697 -5.269 1.00 0.00 N ATOM 774 CA LYS A 62 -2.587 2.504 -6.012 1.00 0.00 C ATOM 775 C LYS A 62 -2.727 1.265 -5.138 1.00 0.00 C ATOM 776 O LYS A 62 -3.318 0.267 -5.550 1.00 0.00 O ATOM 777 CB LYS A 62 -1.160 2.635 -6.546 1.00 0.00 C ATOM 778 CG LYS A 62 -0.955 3.878 -7.399 1.00 0.00 C ATOM 779 CD LYS A 62 0.303 3.785 -8.242 1.00 0.00 C ATOM 780 CE LYS A 62 0.068 2.963 -9.497 1.00 0.00 C ATOM 781 NZ LYS A 62 1.342 2.640 -10.191 1.00 0.00 N ATOM 0 H LYS A 62 -2.190 4.128 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.264 2.397 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.465 2.659 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.917 1.752 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.818 4.018 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.896 4.755 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.633 4.787 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.104 3.335 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.448 2.039 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.586 3.512 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.135 2.182 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.878 3.515 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.906 1.996 -9.600 1.00 0.00 H new ATOM 795 N ARG A 63 -2.183 1.335 -3.930 1.00 0.00 N ATOM 796 CA ARG A 63 -2.266 0.221 -2.996 1.00 0.00 C ATOM 797 C ARG A 63 -3.725 -0.097 -2.674 1.00 0.00 C ATOM 798 O ARG A 63 -4.091 -1.260 -2.495 1.00 0.00 O ATOM 799 CB ARG A 63 -1.497 0.533 -1.713 1.00 0.00 C ATOM 800 CG ARG A 63 -0.770 -0.672 -1.140 1.00 0.00 C ATOM 801 CD ARG A 63 0.736 -0.570 -1.344 1.00 0.00 C ATOM 802 NE ARG A 63 1.110 -0.433 -2.758 1.00 0.00 N ATOM 803 CZ ARG A 63 1.569 -1.439 -3.512 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.658 -2.663 -3.012 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.943 -1.229 -4.769 1.00 0.00 N ATOM 0 H ARG A 63 -1.681 2.149 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.813 -0.652 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.774 1.323 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.191 0.919 -0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.988 -0.756 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.141 -1.580 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.116 0.287 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.215 -1.457 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 63 1.014 0.485 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.376 -2.842 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.008 -3.426 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.882 -0.293 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.291 -2.004 -5.334 1.00 0.00 H new ATOM 819 N ILE A 64 -4.551 0.947 -2.594 1.00 0.00 N ATOM 820 CA ILE A 64 -5.972 0.774 -2.321 1.00 0.00 C ATOM 821 C ILE A 64 -6.671 0.160 -3.540 1.00 0.00 C ATOM 822 O ILE A 64 -7.487 -0.751 -3.405 1.00 0.00 O ATOM 823 CB ILE A 64 -6.653 2.112 -1.943 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.112 2.637 -0.610 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.164 1.940 -1.860 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.637 4.009 -0.241 1.00 0.00 C ATOM 0 H ILE A 64 -4.259 1.917 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.064 0.101 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.425 2.839 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.372 1.933 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.024 2.674 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.624 2.891 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.546 1.610 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.404 1.195 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.212 4.317 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.354 4.726 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.723 3.973 -0.160 1.00 0.00 H new ATOM 838 N ALA A 65 -6.341 0.665 -4.729 1.00 0.00 N ATOM 839 CA ALA A 65 -6.921 0.153 -5.970 1.00 0.00 C ATOM 840 C ALA A 65 -6.583 -1.324 -6.172 1.00 0.00 C ATOM 841 O ALA A 65 -7.409 -2.096 -6.659 1.00 0.00 O ATOM 842 CB ALA A 65 -6.442 0.975 -7.158 1.00 0.00 C ATOM 0 H ALA A 65 -5.676 1.427 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.005 0.241 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.882 0.581 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.744 2.014 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.355 0.919 -7.225 1.00 0.00 H new ATOM 848 N TYR A 66 -5.359 -1.697 -5.800 1.00 0.00 N ATOM 849 CA TYR A 66 -4.885 -3.079 -5.912 1.00 0.00 C ATOM 850 C TYR A 66 -5.857 -4.039 -5.232 1.00 0.00 C ATOM 851 O TYR A 66 -6.370 -4.980 -5.841 1.00 0.00 O ATOM 852 CB TYR A 66 -3.517 -3.213 -5.228 1.00 0.00 C ATOM 853 CG TYR A 66 -2.413 -3.783 -6.094 1.00 0.00 C ATOM 854 CD1 TYR A 66 -2.682 -4.664 -7.137 1.00 0.00 C ATOM 855 CD2 TYR A 66 -1.089 -3.444 -5.848 1.00 0.00 C ATOM 856 CE1 TYR A 66 -1.659 -5.189 -7.908 1.00 0.00 C ATOM 857 CE2 TYR A 66 -0.062 -3.961 -6.614 1.00 0.00 C ATOM 858 CZ TYR A 66 -0.351 -4.834 -7.642 1.00 0.00 C ATOM 859 OH TYR A 66 0.671 -5.355 -8.406 1.00 0.00 O ATOM 0 H TYR A 66 -4.669 -1.053 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.809 -3.327 -6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.208 -2.229 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.630 -3.846 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.704 -4.942 -7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.858 -2.763 -5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.883 -5.873 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.961 -3.683 -6.409 1.00 0.00 H new ATOM 0 HH TYR A 66 1.529 -5.003 -8.089 1.00 0.00 H new ATOM 869 N SER A 67 -6.089 -3.780 -3.955 1.00 0.00 N ATOM 870 CA SER A 67 -6.978 -4.600 -3.148 1.00 0.00 C ATOM 871 C SER A 67 -8.433 -4.513 -3.612 1.00 0.00 C ATOM 872 O SER A 67 -9.150 -5.522 -3.612 1.00 0.00 O ATOM 873 CB SER A 67 -6.844 -4.209 -1.676 1.00 0.00 C ATOM 874 OG SER A 67 -6.631 -2.815 -1.523 1.00 0.00 O ATOM 0 H SER A 67 -5.669 -2.999 -3.451 1.00 0.00 H new ATOM 0 HA SER A 67 -6.679 -5.641 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.746 -4.501 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.014 -4.756 -1.228 1.00 0.00 H new ATOM 0 HG SER A 67 -7.107 -2.332 -2.230 1.00 0.00 H new ATOM 880 N LEU A 68 -8.867 -3.313 -3.988 1.00 0.00 N ATOM 881 CA LEU A 68 -10.228 -3.095 -4.472 1.00 0.00 C ATOM 882 C LEU A 68 -10.566 -4.044 -5.618 1.00 0.00 C ATOM 883 O LEU A 68 -11.646 -4.638 -5.637 1.00 0.00 O ATOM 884 CB LEU A 68 -10.403 -1.653 -4.949 1.00 0.00 C ATOM 885 CG LEU A 68 -10.812 -0.638 -3.880 1.00 0.00 C ATOM 886 CD1 LEU A 68 -10.784 0.760 -4.468 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.198 -0.951 -3.326 1.00 0.00 C ATOM 0 H LEU A 68 -8.292 -2.471 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.905 -3.290 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.465 -1.323 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.154 -1.641 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.102 -0.698 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.076 1.482 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.777 0.988 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.479 0.816 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.462 -0.213 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.929 -0.919 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.195 -1.945 -2.879 1.00 0.00 H new ATOM 899 N LEU A 69 -9.640 -4.176 -6.572 1.00 0.00 N ATOM 900 CA LEU A 69 -9.840 -5.061 -7.721 1.00 0.00 C ATOM 901 C LEU A 69 -10.067 -6.491 -7.250 1.00 0.00 C ATOM 902 O LEU A 69 -10.944 -7.195 -7.754 1.00 0.00 O ATOM 903 CB LEU A 69 -8.630 -5.012 -8.665 1.00 0.00 C ATOM 904 CG LEU A 69 -8.287 -3.630 -9.220 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.995 -3.686 -10.019 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.421 -3.098 -10.084 1.00 0.00 C ATOM 0 H LEU A 69 -8.747 -3.683 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.720 -4.717 -8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.760 -5.397 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.816 -5.685 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.149 -2.949 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.764 -2.694 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.183 -4.021 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.110 -4.383 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.155 -2.113 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.593 -3.778 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.329 -3.021 -9.486 1.00 0.00 H new ATOM 918 N GLY A 70 -9.280 -6.903 -6.265 1.00 0.00 N ATOM 919 CA GLY A 70 -9.406 -8.238 -5.721 1.00 0.00 C ATOM 920 C GLY A 70 -10.752 -8.450 -5.054 1.00 0.00 C ATOM 921 O GLY A 70 -11.394 -9.473 -5.265 1.00 0.00 O ATOM 0 H GLY A 70 -8.554 -6.332 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.277 -8.969 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.610 -8.412 -4.997 1.00 0.00 H new ATOM 925 N LEU A 71 -11.188 -7.468 -4.267 1.00 0.00 N ATOM 926 CA LEU A 71 -12.470 -7.549 -3.565 1.00 0.00 C ATOM 927 C LEU A 71 -13.623 -7.737 -4.549 1.00 0.00 C ATOM 928 O LEU A 71 -14.547 -8.513 -4.301 1.00 0.00 O ATOM 929 CB LEU A 71 -12.708 -6.287 -2.732 1.00 0.00 C ATOM 930 CG LEU A 71 -11.699 -6.037 -1.609 1.00 0.00 C ATOM 931 CD1 LEU A 71 -11.971 -4.695 -0.948 1.00 0.00 C ATOM 932 CD2 LEU A 71 -11.748 -7.159 -0.580 1.00 0.00 C ATOM 0 H LEU A 71 -10.672 -6.605 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.430 -8.414 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.702 -5.426 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.705 -6.344 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.699 -6.017 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.247 -4.529 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.884 -3.900 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.978 -4.693 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.023 -6.961 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.748 -7.214 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.509 -8.106 -1.063 1.00 0.00 H new ATOM 944 N LYS A 72 -13.559 -7.024 -5.667 1.00 0.00 N ATOM 945 CA LYS A 72 -14.594 -7.117 -6.688 1.00 0.00 C ATOM 946 C LYS A 72 -14.579 -8.502 -7.321 1.00 0.00 C ATOM 947 O LYS A 72 -15.625 -9.101 -7.566 1.00 0.00 O ATOM 948 CB LYS A 72 -14.398 -6.029 -7.747 1.00 0.00 C ATOM 949 CG LYS A 72 -14.578 -4.623 -7.193 1.00 0.00 C ATOM 950 CD LYS A 72 -14.423 -3.560 -8.267 1.00 0.00 C ATOM 951 CE LYS A 72 -14.716 -2.174 -7.715 1.00 0.00 C ATOM 952 NZ LYS A 72 -14.753 -1.138 -8.781 1.00 0.00 N ATOM 0 H LYS A 72 -12.803 -6.376 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.567 -6.962 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.399 -6.121 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.108 -6.188 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.565 -4.537 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.847 -4.449 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.409 -3.588 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.098 -3.775 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.672 -2.188 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.955 -1.910 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.287 -0.312 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.782 -0.849 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.215 -1.527 -9.627 1.00 0.00 H new ATOM 966 N ASP A 73 -13.385 -9.004 -7.585 1.00 0.00 N ATOM 967 CA ASP A 73 -13.226 -10.332 -8.164 1.00 0.00 C ATOM 968 C ASP A 73 -13.695 -11.418 -7.187 1.00 0.00 C ATOM 969 O ASP A 73 -14.298 -12.411 -7.594 1.00 0.00 O ATOM 970 CB ASP A 73 -11.764 -10.563 -8.552 1.00 0.00 C ATOM 971 CG ASP A 73 -11.572 -11.823 -9.369 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.306 -12.010 -10.361 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.674 -12.623 -9.032 1.00 0.00 O ATOM 0 H ASP A 73 -12.509 -8.513 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.846 -10.392 -9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.403 -9.706 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.157 -10.624 -7.649 1.00 0.00 H new ATOM 978 N GLN A 74 -13.446 -11.201 -5.894 1.00 0.00 N ATOM 979 CA GLN A 74 -13.824 -12.164 -4.854 1.00 0.00 C ATOM 980 C GLN A 74 -15.335 -12.347 -4.773 1.00 0.00 C ATOM 981 O GLN A 74 -15.821 -13.467 -4.629 1.00 0.00 O ATOM 982 CB GLN A 74 -13.300 -11.712 -3.486 1.00 0.00 C ATOM 983 CG GLN A 74 -11.785 -11.751 -3.370 1.00 0.00 C ATOM 984 CD GLN A 74 -11.255 -13.124 -3.012 1.00 0.00 C ATOM 985 OE1 GLN A 74 -11.874 -14.145 -3.303 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.100 -13.157 -2.374 1.00 0.00 N ATOM 0 H GLN A 74 -12.983 -10.364 -5.540 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.374 -13.119 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.645 -10.696 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.731 -12.348 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.345 -11.433 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.465 -11.035 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.616 -12.287 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.691 -14.052 -2.105 1.00 0.00 H new ATOM 995 N VAL A 75 -16.083 -11.252 -4.883 1.00 0.00 N ATOM 996 CA VAL A 75 -17.537 -11.324 -4.804 1.00 0.00 C ATOM 997 C VAL A 75 -18.117 -11.922 -6.086 1.00 0.00 C ATOM 998 O VAL A 75 -19.261 -12.383 -6.118 1.00 0.00 O ATOM 999 CB VAL A 75 -18.155 -9.932 -4.516 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.191 -9.063 -5.767 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.546 -10.072 -3.915 1.00 0.00 C ATOM 0 H VAL A 75 -15.710 -10.314 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.795 -11.979 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.514 -9.433 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.631 -8.095 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.177 -8.918 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.791 -9.553 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.960 -9.082 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.192 -10.605 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.484 -10.629 -2.980 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.298 -11.936 -7.130 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.696 -12.485 -8.415 1.00 0.00 C ATOM 1013 C ASN A 76 -17.422 -13.984 -8.450 1.00 0.00 C ATOM 1014 O ASN A 76 -17.954 -14.702 -9.295 1.00 0.00 O ATOM 1015 CB ASN A 76 -16.949 -11.783 -9.551 1.00 0.00 C ATOM 1016 CG ASN A 76 -17.730 -10.617 -10.127 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -18.562 -10.790 -11.016 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.470 -9.419 -9.625 1.00 0.00 N ATOM 0 H ASN A 76 -16.346 -11.569 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.765 -12.318 -8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.987 -11.425 -9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.740 -12.502 -10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.967 -8.600 -9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.773 -9.315 -8.888 1.00 0.00 H new ATOM 1025 N THR A 77 -16.589 -14.449 -7.522 1.00 0.00 N ATOM 1026 CA THR A 77 -16.249 -15.860 -7.438 1.00 0.00 C ATOM 1027 C THR A 77 -17.419 -16.650 -6.847 1.00 0.00 C ATOM 1028 O THR A 77 -17.959 -16.287 -5.800 1.00 0.00 O ATOM 1029 CB THR A 77 -14.991 -16.080 -6.574 1.00 0.00 C ATOM 1030 OG1 THR A 77 -13.964 -15.147 -6.946 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.469 -17.498 -6.732 1.00 0.00 C ATOM 0 H THR A 77 -16.138 -13.865 -6.818 1.00 0.00 H new ATOM 0 HA THR A 77 -16.042 -16.214 -8.448 1.00 0.00 H new ATOM 0 HB THR A 77 -15.265 -15.921 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.343 -14.244 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.581 -17.630 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.237 -18.205 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.213 -17.677 -7.776 1.00 0.00 H new ATOM 1064 N MET B 29 11.460 4.833 8.207 1.00 0.00 N ATOM 1065 CA MET B 29 12.379 3.721 8.047 1.00 0.00 C ATOM 1066 C MET B 29 13.709 4.211 7.492 1.00 0.00 C ATOM 1067 O MET B 29 14.487 3.438 6.942 1.00 0.00 O ATOM 1068 CB MET B 29 11.777 2.658 7.124 1.00 0.00 C ATOM 1069 CG MET B 29 11.417 3.176 5.742 1.00 0.00 C ATOM 1070 SD MET B 29 10.487 1.973 4.777 1.00 0.00 S ATOM 1071 CE MET B 29 10.248 2.877 3.252 1.00 0.00 C ATOM 0 HA MET B 29 12.553 3.272 9.025 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.486 1.837 7.020 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.882 2.249 7.592 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.831 4.089 5.841 1.00 0.00 H new ATOM 0 HG3 MET B 29 12.329 3.439 5.207 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.640 2.284 2.569 1.00 0.00 H new ATOM 0 HE2 MET B 29 9.742 3.819 3.463 1.00 0.00 H new ATOM 0 HE3 MET B 29 11.216 3.080 2.794 1.00 0.00 H new ATOM 1081 N SER B 30 13.967 5.503 7.649 1.00 0.00 N ATOM 1082 CA SER B 30 15.202 6.105 7.170 1.00 0.00 C ATOM 1083 C SER B 30 16.407 5.448 7.844 1.00 0.00 C ATOM 1084 O SER B 30 17.298 4.920 7.176 1.00 0.00 O ATOM 1085 CB SER B 30 15.173 7.606 7.453 1.00 0.00 C ATOM 1086 OG SER B 30 13.837 8.047 7.645 1.00 0.00 O ATOM 0 H SER B 30 13.332 6.157 8.107 1.00 0.00 H new ATOM 0 HA SER B 30 15.292 5.948 6.095 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.767 7.827 8.340 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.626 8.148 6.623 1.00 0.00 H new ATOM 0 HG SER B 30 13.485 8.400 6.801 1.00 0.00 H new ATOM 1092 N ALA B 31 16.421 5.476 9.173 1.00 0.00 N ATOM 1093 CA ALA B 31 17.496 4.860 9.945 1.00 0.00 C ATOM 1094 C ALA B 31 17.542 3.349 9.709 1.00 0.00 C ATOM 1095 O ALA B 31 18.584 2.715 9.854 1.00 0.00 O ATOM 1096 CB ALA B 31 17.322 5.162 11.424 1.00 0.00 C ATOM 0 H ALA B 31 15.698 5.920 9.740 1.00 0.00 H new ATOM 0 HA ALA B 31 18.443 5.283 9.610 1.00 0.00 H new ATOM 0 HB1 ALA B 31 18.130 4.697 11.988 1.00 0.00 H new ATOM 0 HB2 ALA B 31 17.345 6.241 11.580 1.00 0.00 H new ATOM 0 HB3 ALA B 31 16.366 4.766 11.766 1.00 0.00 H new ATOM 1102 N TRP B 32 16.399 2.789 9.331 1.00 0.00 N ATOM 1103 CA TRP B 32 16.277 1.362 9.054 1.00 0.00 C ATOM 1104 C TRP B 32 16.927 1.028 7.710 1.00 0.00 C ATOM 1105 O TRP B 32 17.481 -0.055 7.518 1.00 0.00 O ATOM 1106 CB TRP B 32 14.789 0.979 9.041 1.00 0.00 C ATOM 1107 CG TRP B 32 14.512 -0.493 8.922 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.249 -1.360 9.944 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.447 -1.265 7.714 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.028 -2.622 9.445 1.00 0.00 N ATOM 1111 CE2 TRP B 32 14.149 -2.590 8.082 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.617 -0.967 6.358 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 14.014 -3.610 7.147 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 14.485 -1.981 5.430 1.00 0.00 C ATOM 1115 CH2 TRP B 32 14.186 -3.289 5.828 1.00 0.00 C ATOM 0 H TRP B 32 15.531 3.310 9.208 1.00 0.00 H new ATOM 0 HA TRP B 32 16.789 0.793 9.830 1.00 0.00 H new ATOM 0 HB2 TRP B 32 14.327 1.347 9.957 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.305 1.493 8.211 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.219 -1.094 10.990 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.809 -3.449 10.001 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.848 0.040 6.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.782 -4.620 7.451 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.615 -1.761 4.381 1.00 0.00 H new ATOM 0 HH2 TRP B 32 14.089 -4.061 5.079 1.00 0.00 H new ATOM 1126 N LEU B 33 16.896 1.995 6.802 1.00 0.00 N ATOM 1127 CA LEU B 33 17.454 1.815 5.470 1.00 0.00 C ATOM 1128 C LEU B 33 18.949 2.106 5.470 1.00 0.00 C ATOM 1129 O LEU B 33 19.679 1.630 4.598 1.00 0.00 O ATOM 1130 CB LEU B 33 16.728 2.705 4.462 1.00 0.00 C ATOM 1131 CG LEU B 33 15.354 2.193 4.019 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.608 3.265 3.244 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.502 0.935 3.175 1.00 0.00 C ATOM 0 H LEU B 33 16.488 2.915 6.966 1.00 0.00 H new ATOM 0 HA LEU B 33 17.311 0.776 5.174 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.607 3.697 4.897 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.358 2.819 3.580 1.00 0.00 H new ATOM 0 HG LEU B 33 14.776 1.948 4.910 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.634 2.882 2.938 1.00 0.00 H new ATOM 0 HD12 LEU B 33 14.470 4.142 3.877 1.00 0.00 H new ATOM 0 HD13 LEU B 33 15.183 3.542 2.360 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.516 0.584 2.869 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.099 1.158 2.291 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.997 0.160 3.761 1.00 0.00 H new ATOM 1145 N ARG B 34 19.391 2.900 6.453 1.00 0.00 N ATOM 1146 CA ARG B 34 20.810 3.245 6.623 1.00 0.00 C ATOM 1147 C ARG B 34 21.684 1.992 6.661 1.00 0.00 C ATOM 1148 O ARG B 34 22.882 2.049 6.386 1.00 0.00 O ATOM 1149 CB ARG B 34 21.009 4.023 7.926 1.00 0.00 C ATOM 1150 CG ARG B 34 21.526 5.440 7.741 1.00 0.00 C ATOM 1151 CD ARG B 34 20.416 6.390 7.325 1.00 0.00 C ATOM 1152 NE ARG B 34 20.567 7.712 7.934 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.998 8.794 7.285 1.00 0.00 C ATOM 1154 NH1 ARG B 34 21.392 8.712 6.020 1.00 0.00 N ATOM 1155 NH2 ARG B 34 21.057 9.960 7.914 1.00 0.00 N ATOM 0 H ARG B 34 18.778 3.321 7.151 1.00 0.00 H new ATOM 0 HA ARG B 34 21.105 3.857 5.771 1.00 0.00 H new ATOM 0 HB2 ARG B 34 20.059 4.063 8.459 1.00 0.00 H new ATOM 0 HB3 ARG B 34 21.707 3.475 8.559 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.975 5.789 8.671 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.312 5.445 6.986 1.00 0.00 H new ATOM 0 HD2 ARG B 34 20.412 6.489 6.240 1.00 0.00 H new ATOM 0 HD3 ARG B 34 19.452 5.968 7.610 1.00 0.00 H new ATOM 0 HE ARG B 34 20.327 7.812 8.920 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.367 7.815 5.535 1.00 0.00 H new ATOM 0 HH12 ARG B 34 21.720 9.546 5.533 1.00 0.00 H new ATOM 0 HH21 ARG B 34 20.773 10.027 8.891 1.00 0.00 H new ATOM 0 HH22 ARG B 34 21.386 10.790 7.420 1.00 0.00 H new ATOM 1169 N ALA B 35 21.065 0.871 7.006 1.00 0.00 N ATOM 1170 CA ALA B 35 21.757 -0.407 7.085 1.00 0.00 C ATOM 1171 C ALA B 35 22.414 -0.751 5.748 1.00 0.00 C ATOM 1172 O ALA B 35 23.516 -1.293 5.708 1.00 0.00 O ATOM 1173 CB ALA B 35 20.793 -1.507 7.504 1.00 0.00 C ATOM 0 H ALA B 35 20.073 0.822 7.238 1.00 0.00 H new ATOM 0 HA ALA B 35 22.540 -0.326 7.839 1.00 0.00 H new ATOM 0 HB1 ALA B 35 21.326 -2.456 7.558 1.00 0.00 H new ATOM 0 HB2 ALA B 35 20.373 -1.270 8.482 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.989 -1.584 6.773 1.00 0.00 H new ATOM 1179 N ILE B 36 21.733 -0.417 4.656 1.00 0.00 N ATOM 1180 CA ILE B 36 22.248 -0.689 3.316 1.00 0.00 C ATOM 1181 C ILE B 36 22.349 0.587 2.488 1.00 0.00 C ATOM 1182 O ILE B 36 22.402 0.531 1.260 1.00 0.00 O ATOM 1183 CB ILE B 36 21.364 -1.700 2.561 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.881 -1.349 2.725 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.642 -3.112 3.051 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.983 -2.029 1.714 1.00 0.00 C ATOM 0 H ILE B 36 20.823 0.043 4.672 1.00 0.00 H new ATOM 0 HA ILE B 36 23.243 -1.114 3.450 1.00 0.00 H new ATOM 0 HB ILE B 36 21.607 -1.650 1.500 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.559 -1.626 3.729 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.760 -0.269 2.638 1.00 0.00 H new ATOM 0 HG21 ILE B 36 21.011 -3.816 2.509 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.690 -3.357 2.879 1.00 0.00 H new ATOM 0 HG23 ILE B 36 21.425 -3.176 4.117 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.948 -1.735 1.890 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.278 -1.733 0.708 1.00 0.00 H new ATOM 0 HD13 ILE B 36 19.075 -3.110 1.815 1.00 0.00 H new ATOM 1198 N GLY B 37 22.422 1.722 3.178 1.00 0.00 N ATOM 1199 CA GLY B 37 22.501 3.016 2.514 1.00 0.00 C ATOM 1200 C GLY B 37 21.442 3.211 1.436 1.00 0.00 C ATOM 1201 O GLY B 37 21.744 3.688 0.343 1.00 0.00 O ATOM 0 H GLY B 37 22.428 1.770 4.197 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.399 3.805 3.259 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.489 3.126 2.066 1.00 0.00 H new ATOM 1205 N LEU B 38 20.199 2.850 1.743 1.00 0.00 N ATOM 1206 CA LEU B 38 19.111 2.984 0.777 1.00 0.00 C ATOM 1207 C LEU B 38 18.036 3.946 1.280 1.00 0.00 C ATOM 1208 O LEU B 38 16.937 4.007 0.727 1.00 0.00 O ATOM 1209 CB LEU B 38 18.488 1.617 0.475 1.00 0.00 C ATOM 1210 CG LEU B 38 18.646 1.134 -0.970 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.074 0.678 -1.231 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.662 0.013 -1.271 1.00 0.00 C ATOM 0 H LEU B 38 19.921 2.465 2.646 1.00 0.00 H new ATOM 0 HA LEU B 38 19.534 3.394 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.934 0.877 1.139 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.425 1.659 0.713 1.00 0.00 H new ATOM 0 HG LEU B 38 18.427 1.969 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.165 0.339 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.758 1.509 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.323 -0.141 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.790 -0.316 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.846 -0.824 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.644 0.375 -1.130 1.00 0.00 H new ATOM 1224 N GLU B 39 18.360 4.693 2.332 1.00 0.00 N ATOM 1225 CA GLU B 39 17.436 5.664 2.928 1.00 0.00 C ATOM 1226 C GLU B 39 16.900 6.664 1.905 1.00 0.00 C ATOM 1227 O GLU B 39 15.810 7.209 2.072 1.00 0.00 O ATOM 1228 CB GLU B 39 18.123 6.423 4.067 1.00 0.00 C ATOM 1229 CG GLU B 39 19.469 7.016 3.679 1.00 0.00 C ATOM 1230 CD GLU B 39 20.627 6.104 4.022 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.482 4.877 3.883 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.678 6.618 4.447 1.00 0.00 O ATOM 0 H GLU B 39 19.267 4.646 2.797 1.00 0.00 H new ATOM 0 HA GLU B 39 16.590 5.096 3.314 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.467 7.224 4.406 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.263 5.747 4.910 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.477 7.220 2.608 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.601 7.971 4.187 1.00 0.00 H new ATOM 1239 N ARG B 40 17.657 6.890 0.837 1.00 0.00 N ATOM 1240 CA ARG B 40 17.259 7.823 -0.206 1.00 0.00 C ATOM 1241 C ARG B 40 16.055 7.315 -0.997 1.00 0.00 C ATOM 1242 O ARG B 40 15.529 8.022 -1.855 1.00 0.00 O ATOM 1243 CB ARG B 40 18.427 8.069 -1.158 1.00 0.00 C ATOM 1244 CG ARG B 40 19.476 9.020 -0.609 1.00 0.00 C ATOM 1245 CD ARG B 40 20.732 9.012 -1.465 1.00 0.00 C ATOM 1246 NE ARG B 40 20.423 8.987 -2.894 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.304 8.673 -3.842 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.556 8.369 -3.519 1.00 0.00 N ATOM 1249 NH2 ARG B 40 20.929 8.660 -5.114 1.00 0.00 N ATOM 0 H ARG B 40 18.555 6.436 0.672 1.00 0.00 H new ATOM 0 HA ARG B 40 16.972 8.755 0.281 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.901 7.115 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.041 8.470 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.068 10.030 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.728 8.736 0.413 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.330 9.895 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.338 8.143 -1.210 1.00 0.00 H new ATOM 0 HE ARG B 40 19.474 9.225 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.846 8.375 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.227 8.129 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG B 40 19.967 8.890 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG B 40 21.602 8.420 -5.842 1.00 0.00 H new ATOM 1263 N TYR B 41 15.622 6.095 -0.717 1.00 0.00 N ATOM 1264 CA TYR B 41 14.489 5.519 -1.424 1.00 0.00 C ATOM 1265 C TYR B 41 13.201 5.603 -0.610 1.00 0.00 C ATOM 1266 O TYR B 41 12.113 5.487 -1.173 1.00 0.00 O ATOM 1267 CB TYR B 41 14.784 4.068 -1.811 1.00 0.00 C ATOM 1268 CG TYR B 41 15.813 3.946 -2.913 1.00 0.00 C ATOM 1269 CD1 TYR B 41 17.171 4.005 -2.630 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.425 3.785 -4.237 1.00 0.00 C ATOM 1271 CE1 TYR B 41 18.114 3.905 -3.633 1.00 0.00 C ATOM 1272 CE2 TYR B 41 16.362 3.684 -5.247 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.705 3.745 -4.939 1.00 0.00 C ATOM 1274 OH TYR B 41 18.643 3.643 -5.940 1.00 0.00 O ATOM 0 H TYR B 41 16.035 5.488 -0.009 1.00 0.00 H new ATOM 0 HA TYR B 41 14.338 6.106 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.136 3.528 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.859 3.588 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.495 4.131 -1.608 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.374 3.738 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR B 41 19.167 3.952 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR B 41 16.045 3.558 -6.272 1.00 0.00 H new ATOM 0 HH TYR B 41 19.394 3.095 -5.630 1.00 0.00 H new ATOM 1284 N GLU B 42 13.323 5.785 0.712 1.00 0.00 N ATOM 1285 CA GLU B 42 12.154 5.895 1.596 1.00 0.00 C ATOM 1286 C GLU B 42 11.092 6.827 1.015 1.00 0.00 C ATOM 1287 O GLU B 42 9.958 6.414 0.776 1.00 0.00 O ATOM 1288 CB GLU B 42 12.576 6.396 2.984 1.00 0.00 C ATOM 1289 CG GLU B 42 11.402 6.619 3.927 1.00 0.00 C ATOM 1290 CD GLU B 42 11.812 7.184 5.272 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.531 8.203 5.309 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.405 6.618 6.308 1.00 0.00 O ATOM 0 H GLU B 42 14.219 5.859 1.193 1.00 0.00 H new ATOM 0 HA GLU B 42 11.720 4.899 1.685 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.260 5.674 3.431 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.127 7.330 2.873 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.691 7.299 3.457 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.884 5.672 4.081 1.00 0.00 H new ATOM 1299 N GLU B 43 11.471 8.090 0.848 1.00 0.00 N ATOM 1300 CA GLU B 43 10.589 9.117 0.277 1.00 0.00 C ATOM 1301 C GLU B 43 9.821 8.605 -0.950 1.00 0.00 C ATOM 1302 O GLU B 43 8.614 8.823 -1.071 1.00 0.00 O ATOM 1303 CB GLU B 43 11.400 10.358 -0.099 1.00 0.00 C ATOM 1304 CG GLU B 43 10.541 11.525 -0.556 1.00 0.00 C ATOM 1305 CD GLU B 43 11.320 12.816 -0.658 1.00 0.00 C ATOM 1306 OE1 GLU B 43 12.066 12.990 -1.645 1.00 0.00 O ATOM 1307 OE2 GLU B 43 11.188 13.667 0.244 1.00 0.00 O ATOM 0 H GLU B 43 12.396 8.436 1.103 1.00 0.00 H new ATOM 0 HA GLU B 43 9.855 9.374 1.041 1.00 0.00 H new ATOM 0 HB2 GLU B 43 11.994 10.669 0.760 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.100 10.099 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU B 43 10.104 11.291 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU B 43 9.714 11.658 0.142 1.00 0.00 H new ATOM 1314 N GLY B 44 10.524 7.922 -1.848 1.00 0.00 N ATOM 1315 CA GLY B 44 9.896 7.395 -3.053 1.00 0.00 C ATOM 1316 C GLY B 44 8.908 6.279 -2.764 1.00 0.00 C ATOM 1317 O GLY B 44 7.919 6.118 -3.479 1.00 0.00 O ATOM 0 H GLY B 44 11.521 7.722 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.381 8.204 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.668 7.024 -3.727 1.00 0.00 H new ATOM 1321 N LEU B 45 9.175 5.515 -1.716 1.00 0.00 N ATOM 1322 CA LEU B 45 8.310 4.408 -1.326 1.00 0.00 C ATOM 1323 C LEU B 45 7.043 4.922 -0.634 1.00 0.00 C ATOM 1324 O LEU B 45 5.930 4.638 -1.077 1.00 0.00 O ATOM 1325 CB LEU B 45 9.071 3.452 -0.395 1.00 0.00 C ATOM 1326 CG LEU B 45 10.039 2.486 -1.089 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.308 2.317 -0.268 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.375 1.135 -1.311 1.00 0.00 C ATOM 0 H LEU B 45 9.990 5.641 -1.115 1.00 0.00 H new ATOM 0 HA LEU B 45 8.012 3.870 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.632 4.046 0.326 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.345 2.868 0.170 1.00 0.00 H new ATOM 0 HG LEU B 45 10.306 2.908 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.982 1.628 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.798 3.284 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.055 1.918 0.714 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.076 0.462 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.081 0.712 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.492 1.262 -1.937 1.00 0.00 H new ATOM 1340 N VAL B 46 7.245 5.659 0.463 1.00 0.00 N ATOM 1341 CA VAL B 46 6.172 6.253 1.286 1.00 0.00 C ATOM 1342 C VAL B 46 4.890 6.614 0.521 1.00 0.00 C ATOM 1343 O VAL B 46 3.797 6.212 0.925 1.00 0.00 O ATOM 1344 CB VAL B 46 6.689 7.526 2.000 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.545 8.339 2.598 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.696 7.157 3.078 1.00 0.00 C ATOM 0 H VAL B 46 8.179 5.867 0.816 1.00 0.00 H new ATOM 0 HA VAL B 46 5.902 5.471 1.996 1.00 0.00 H new ATOM 0 HB VAL B 46 7.182 8.148 1.252 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.947 9.224 3.091 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.862 8.643 1.805 1.00 0.00 H new ATOM 0 HG13 VAL B 46 5.008 7.731 3.326 1.00 0.00 H new ATOM 0 HG21 VAL B 46 8.050 8.063 3.571 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.221 6.507 3.812 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.540 6.637 2.625 1.00 0.00 H new ATOM 1356 N HIS B 47 5.027 7.351 -0.575 1.00 0.00 N ATOM 1357 CA HIS B 47 3.868 7.807 -1.351 1.00 0.00 C ATOM 1358 C HIS B 47 2.908 6.692 -1.744 1.00 0.00 C ATOM 1359 O HIS B 47 1.704 6.923 -1.808 1.00 0.00 O ATOM 1360 CB HIS B 47 4.302 8.536 -2.619 1.00 0.00 C ATOM 1361 CG HIS B 47 4.781 9.933 -2.375 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.290 11.037 -3.033 1.00 0.00 N ATOM 1363 CD2 HIS B 47 5.718 10.401 -1.511 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.924 12.115 -2.562 1.00 0.00 C ATOM 1365 NE2 HIS B 47 5.803 11.785 -1.634 1.00 0.00 N ATOM 0 H HIS B 47 5.927 7.648 -0.951 1.00 0.00 H new ATOM 0 HA HIS B 47 3.337 8.483 -0.681 1.00 0.00 H new ATOM 0 HB2 HIS B 47 5.098 7.967 -3.100 1.00 0.00 H new ATOM 0 HB3 HIS B 47 3.464 8.565 -3.316 1.00 0.00 H new ATOM 0 HD2 HIS B 47 6.304 9.796 -0.836 1.00 0.00 H new ATOM 0 HE1 HIS B 47 4.741 13.125 -2.897 1.00 0.00 H new ATOM 0 HE2 HIS B 47 6.417 12.413 -1.115 1.00 0.00 H new ATOM 1373 N ASN B 48 3.415 5.494 -1.995 1.00 0.00 N ATOM 1374 CA ASN B 48 2.549 4.399 -2.429 1.00 0.00 C ATOM 1375 C ASN B 48 2.089 3.515 -1.277 1.00 0.00 C ATOM 1376 O ASN B 48 1.611 2.404 -1.503 1.00 0.00 O ATOM 1377 CB ASN B 48 3.228 3.536 -3.497 1.00 0.00 C ATOM 1378 CG ASN B 48 3.488 4.277 -4.798 1.00 0.00 C ATOM 1379 OD1 ASN B 48 3.829 5.462 -4.806 1.00 0.00 O ATOM 1380 ND2 ASN B 48 3.318 3.588 -5.915 1.00 0.00 N ATOM 0 H ASN B 48 4.403 5.254 -1.909 1.00 0.00 H new ATOM 0 HA ASN B 48 1.666 4.874 -2.857 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.174 3.164 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN B 48 2.603 2.666 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN B 48 3.470 4.036 -6.819 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.035 2.609 -5.872 1.00 0.00 H new ATOM 1387 N GLY B 49 2.213 3.999 -0.052 1.00 0.00 N ATOM 1388 CA GLY B 49 1.779 3.214 1.088 1.00 0.00 C ATOM 1389 C GLY B 49 2.878 2.336 1.634 1.00 0.00 C ATOM 1390 O GLY B 49 2.671 1.151 1.893 1.00 0.00 O ATOM 0 H GLY B 49 2.603 4.914 0.175 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.428 3.883 1.874 1.00 0.00 H new ATOM 0 HA3 GLY B 49 0.932 2.593 0.797 1.00 0.00 H new ATOM 1394 N TRP B 50 4.053 2.915 1.793 1.00 0.00 N ATOM 1395 CA TRP B 50 5.200 2.196 2.321 1.00 0.00 C ATOM 1396 C TRP B 50 5.818 3.005 3.447 1.00 0.00 C ATOM 1397 O TRP B 50 7.024 2.970 3.678 1.00 0.00 O ATOM 1398 CB TRP B 50 6.229 1.937 1.219 1.00 0.00 C ATOM 1399 CG TRP B 50 5.722 1.044 0.126 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.543 1.377 -1.186 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.322 -0.326 0.251 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.062 0.297 -1.885 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.916 -0.759 -1.025 1.00 0.00 C ATOM 1404 CE3 TRP B 50 5.269 -1.229 1.316 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.464 -2.055 -1.263 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.819 -2.514 1.079 1.00 0.00 C ATOM 1407 CH2 TRP B 50 4.422 -2.916 -0.202 1.00 0.00 C ATOM 0 H TRP B 50 4.240 3.891 1.562 1.00 0.00 H new ATOM 0 HA TRP B 50 4.873 1.230 2.706 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.534 2.890 0.787 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.118 1.488 1.661 1.00 0.00 H new ATOM 0 HD1 TRP B 50 5.749 2.348 -1.612 1.00 0.00 H new ATOM 0 HE1 TRP B 50 4.848 0.284 -2.882 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.574 -0.928 2.307 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.158 -2.368 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.773 -3.220 1.895 1.00 0.00 H new ATOM 0 HH2 TRP B 50 4.075 -3.927 -0.355 1.00 0.00 H new ATOM 1418 N ASP B 51 4.962 3.738 4.141 1.00 0.00 N ATOM 1419 CA ASP B 51 5.377 4.583 5.250 1.00 0.00 C ATOM 1420 C ASP B 51 5.381 3.791 6.548 1.00 0.00 C ATOM 1421 O ASP B 51 5.820 4.280 7.591 1.00 0.00 O ATOM 1422 CB ASP B 51 4.435 5.786 5.376 1.00 0.00 C ATOM 1423 CG ASP B 51 3.023 5.399 5.790 1.00 0.00 C ATOM 1424 OD1 ASP B 51 2.460 4.457 5.194 1.00 0.00 O ATOM 1425 OD2 ASP B 51 2.465 6.053 6.699 1.00 0.00 O ATOM 0 H ASP B 51 3.960 3.764 3.952 1.00 0.00 H new ATOM 0 HA ASP B 51 6.388 4.940 5.055 1.00 0.00 H new ATOM 0 HB2 ASP B 51 4.843 6.484 6.107 1.00 0.00 H new ATOM 0 HB3 ASP B 51 4.396 6.311 4.421 1.00 0.00 H new ATOM 1430 N ASP B 52 4.900 2.563 6.473 1.00 0.00 N ATOM 1431 CA ASP B 52 4.831 1.699 7.637 1.00 0.00 C ATOM 1432 C ASP B 52 5.772 0.507 7.488 1.00 0.00 C ATOM 1433 O ASP B 52 5.732 -0.210 6.486 1.00 0.00 O ATOM 1434 CB ASP B 52 3.397 1.220 7.838 1.00 0.00 C ATOM 1435 CG ASP B 52 3.240 0.399 9.093 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.120 0.990 10.184 1.00 0.00 O ATOM 1437 OD2 ASP B 52 3.227 -0.840 8.993 1.00 0.00 O ATOM 0 H ASP B 52 4.550 2.140 5.613 1.00 0.00 H new ATOM 0 HA ASP B 52 5.145 2.268 8.512 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.731 2.082 7.884 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.090 0.626 6.977 1.00 0.00 H new ATOM 1442 N LEU B 53 6.607 0.294 8.499 1.00 0.00 N ATOM 1443 CA LEU B 53 7.579 -0.796 8.486 1.00 0.00 C ATOM 1444 C LEU B 53 6.912 -2.167 8.555 1.00 0.00 C ATOM 1445 O LEU B 53 7.414 -3.128 7.974 1.00 0.00 O ATOM 1446 CB LEU B 53 8.568 -0.640 9.643 1.00 0.00 C ATOM 1447 CG LEU B 53 9.829 0.162 9.315 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.614 0.463 10.582 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.696 -0.594 8.320 1.00 0.00 C ATOM 0 H LEU B 53 6.631 0.865 9.344 1.00 0.00 H new ATOM 0 HA LEU B 53 8.113 -0.737 7.538 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.056 -0.158 10.476 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.865 -1.632 9.983 1.00 0.00 H new ATOM 0 HG LEU B 53 9.528 1.107 8.863 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.507 1.034 10.329 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.994 1.043 11.265 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.904 -0.472 11.061 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.589 -0.009 8.098 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.988 -1.554 8.747 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.134 -0.762 7.401 1.00 0.00 H new ATOM 1461 N GLU B 54 5.776 -2.257 9.244 1.00 0.00 N ATOM 1462 CA GLU B 54 5.063 -3.528 9.378 1.00 0.00 C ATOM 1463 C GLU B 54 4.411 -3.923 8.057 1.00 0.00 C ATOM 1464 O GLU B 54 4.050 -5.081 7.845 1.00 0.00 O ATOM 1465 CB GLU B 54 4.000 -3.446 10.476 1.00 0.00 C ATOM 1466 CG GLU B 54 4.549 -3.052 11.836 1.00 0.00 C ATOM 1467 CD GLU B 54 3.852 -1.836 12.409 1.00 0.00 C ATOM 1468 OE1 GLU B 54 2.604 -1.807 12.410 1.00 0.00 O ATOM 1469 OE2 GLU B 54 4.547 -0.902 12.856 1.00 0.00 O ATOM 0 H GLU B 54 5.331 -1.470 9.716 1.00 0.00 H new ATOM 0 HA GLU B 54 5.792 -4.290 9.654 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.240 -2.724 10.179 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.505 -4.413 10.561 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.439 -3.889 12.526 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.616 -2.848 11.749 1.00 0.00 H new ATOM 1476 N PHE B 55 4.243 -2.949 7.177 1.00 0.00 N ATOM 1477 CA PHE B 55 3.654 -3.199 5.874 1.00 0.00 C ATOM 1478 C PHE B 55 4.754 -3.461 4.852 1.00 0.00 C ATOM 1479 O PHE B 55 4.597 -4.279 3.945 1.00 0.00 O ATOM 1480 CB PHE B 55 2.792 -2.013 5.440 1.00 0.00 C ATOM 1481 CG PHE B 55 1.852 -2.334 4.313 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.877 -3.304 4.465 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.947 -1.669 3.103 1.00 0.00 C ATOM 1484 CE1 PHE B 55 0.014 -3.605 3.430 1.00 0.00 C ATOM 1485 CE2 PHE B 55 1.084 -1.966 2.064 1.00 0.00 C ATOM 1486 CZ PHE B 55 0.116 -2.935 2.229 1.00 0.00 C ATOM 0 H PHE B 55 4.507 -1.978 7.343 1.00 0.00 H new ATOM 0 HA PHE B 55 3.014 -4.079 5.938 1.00 0.00 H new ATOM 0 HB2 PHE B 55 2.214 -1.662 6.295 1.00 0.00 H new ATOM 0 HB3 PHE B 55 3.443 -1.193 5.137 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.790 -3.831 5.403 1.00 0.00 H new ATOM 0 HD2 PHE B 55 2.703 -0.910 2.969 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.741 -4.366 3.561 1.00 0.00 H new ATOM 0 HE2 PHE B 55 1.168 -1.440 1.124 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.560 -3.168 1.420 1.00 0.00 H new ATOM 1496 N LEU B 56 5.882 -2.779 5.023 1.00 0.00 N ATOM 1497 CA LEU B 56 7.020 -2.929 4.123 1.00 0.00 C ATOM 1498 C LEU B 56 7.647 -4.316 4.254 1.00 0.00 C ATOM 1499 O LEU B 56 8.283 -4.808 3.326 1.00 0.00 O ATOM 1500 CB LEU B 56 8.076 -1.858 4.409 1.00 0.00 C ATOM 1501 CG LEU B 56 9.297 -1.891 3.486 1.00 0.00 C ATOM 1502 CD1 LEU B 56 9.074 -1.004 2.271 1.00 0.00 C ATOM 1503 CD2 LEU B 56 10.551 -1.474 4.238 1.00 0.00 C ATOM 0 H LEU B 56 6.033 -2.113 5.781 1.00 0.00 H new ATOM 0 HA LEU B 56 6.653 -2.808 3.104 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.607 -0.877 4.332 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.415 -1.969 5.439 1.00 0.00 H new ATOM 0 HG LEU B 56 9.436 -2.915 3.138 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.953 -1.041 1.627 1.00 0.00 H new ATOM 0 HD12 LEU B 56 8.204 -1.357 1.718 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.905 0.023 2.596 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.407 -1.504 3.564 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.426 -0.461 4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.720 -2.157 5.070 1.00 0.00 H new ATOM 1515 N SER B 57 7.450 -4.952 5.400 1.00 0.00 N ATOM 1516 CA SER B 57 8.006 -6.276 5.637 1.00 0.00 C ATOM 1517 C SER B 57 7.303 -7.334 4.787 1.00 0.00 C ATOM 1518 O SER B 57 7.784 -8.460 4.656 1.00 0.00 O ATOM 1519 CB SER B 57 7.901 -6.626 7.121 1.00 0.00 C ATOM 1520 OG SER B 57 7.019 -5.739 7.786 1.00 0.00 O ATOM 0 H SER B 57 6.911 -4.573 6.179 1.00 0.00 H new ATOM 0 HA SER B 57 9.056 -6.263 5.346 1.00 0.00 H new ATOM 0 HB2 SER B 57 7.547 -7.651 7.233 1.00 0.00 H new ATOM 0 HB3 SER B 57 8.888 -6.578 7.581 1.00 0.00 H new ATOM 0 HG SER B 57 7.494 -4.912 8.010 1.00 0.00 H new ATOM 1526 N ASP B 58 6.171 -6.966 4.201 1.00 0.00 N ATOM 1527 CA ASP B 58 5.416 -7.891 3.366 1.00 0.00 C ATOM 1528 C ASP B 58 5.528 -7.501 1.895 1.00 0.00 C ATOM 1529 O ASP B 58 4.739 -7.947 1.062 1.00 0.00 O ATOM 1530 CB ASP B 58 3.946 -7.929 3.794 1.00 0.00 C ATOM 1531 CG ASP B 58 3.325 -9.296 3.581 1.00 0.00 C ATOM 1532 OD1 ASP B 58 3.806 -10.272 4.197 1.00 0.00 O ATOM 1533 OD2 ASP B 58 2.354 -9.407 2.800 1.00 0.00 O ATOM 0 H ASP B 58 5.757 -6.038 4.288 1.00 0.00 H new ATOM 0 HA ASP B 58 5.840 -8.887 3.494 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.868 -7.656 4.846 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.385 -7.184 3.229 1.00 0.00 H new ATOM 1538 N ILE B 59 6.518 -6.673 1.579 1.00 0.00 N ATOM 1539 CA ILE B 59 6.729 -6.230 0.207 1.00 0.00 C ATOM 1540 C ILE B 59 7.225 -7.388 -0.662 1.00 0.00 C ATOM 1541 O ILE B 59 7.905 -8.300 -0.181 1.00 0.00 O ATOM 1542 CB ILE B 59 7.727 -5.044 0.135 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.596 -4.311 -1.203 1.00 0.00 C ATOM 1544 CG2 ILE B 59 9.160 -5.521 0.342 1.00 0.00 C ATOM 1545 CD1 ILE B 59 8.278 -2.960 -1.226 1.00 0.00 C ATOM 0 H ILE B 59 7.185 -6.296 2.253 1.00 0.00 H new ATOM 0 HA ILE B 59 5.769 -5.884 -0.175 1.00 0.00 H new ATOM 0 HB ILE B 59 7.482 -4.349 0.938 1.00 0.00 H new ATOM 0 HG12 ILE B 59 8.018 -4.934 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.539 -4.178 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.838 -4.670 0.287 1.00 0.00 H new ATOM 0 HG22 ILE B 59 9.249 -5.993 1.321 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.419 -6.242 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE B 59 8.143 -2.501 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.841 -2.319 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE B 59 9.342 -3.086 -1.029 1.00 0.00 H new ATOM 1557 N THR B 60 6.864 -7.364 -1.934 1.00 0.00 N ATOM 1558 CA THR B 60 7.272 -8.407 -2.856 1.00 0.00 C ATOM 1559 C THR B 60 8.417 -7.925 -3.739 1.00 0.00 C ATOM 1560 O THR B 60 8.747 -6.736 -3.752 1.00 0.00 O ATOM 1561 CB THR B 60 6.097 -8.849 -3.753 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.750 -7.794 -4.659 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.882 -9.224 -2.918 1.00 0.00 C ATOM 0 H THR B 60 6.289 -6.632 -2.351 1.00 0.00 H new ATOM 0 HA THR B 60 7.603 -9.257 -2.260 1.00 0.00 H new ATOM 0 HB THR B 60 6.413 -9.727 -4.317 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.107 -7.192 -4.229 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.069 -9.531 -3.576 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.139 -10.046 -2.250 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.566 -8.363 -2.329 1.00 0.00 H new ATOM 1571 N GLU B 61 9.013 -8.849 -4.485 1.00 0.00 N ATOM 1572 CA GLU B 61 10.103 -8.518 -5.395 1.00 0.00 C ATOM 1573 C GLU B 61 9.558 -7.772 -6.612 1.00 0.00 C ATOM 1574 O GLU B 61 10.314 -7.289 -7.456 1.00 0.00 O ATOM 1575 CB GLU B 61 10.832 -9.787 -5.842 1.00 0.00 C ATOM 1576 CG GLU B 61 11.927 -10.234 -4.886 1.00 0.00 C ATOM 1577 CD GLU B 61 13.302 -9.747 -5.301 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.398 -8.645 -5.875 1.00 0.00 O ATOM 1579 OE2 GLU B 61 14.294 -10.473 -5.071 1.00 0.00 O ATOM 0 H GLU B 61 8.758 -9.837 -4.477 1.00 0.00 H new ATOM 0 HA GLU B 61 10.812 -7.877 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.106 -10.593 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU B 61 11.269 -9.617 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.702 -9.865 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU B 61 11.933 -11.323 -4.831 1.00 0.00 H new ATOM 1586 N GLU B 62 8.234 -7.691 -6.689 1.00 0.00 N ATOM 1587 CA GLU B 62 7.562 -7.011 -7.781 1.00 0.00 C ATOM 1588 C GLU B 62 7.110 -5.624 -7.339 1.00 0.00 C ATOM 1589 O GLU B 62 7.346 -4.639 -8.033 1.00 0.00 O ATOM 1590 CB GLU B 62 6.355 -7.827 -8.248 1.00 0.00 C ATOM 1591 CG GLU B 62 6.694 -9.259 -8.624 1.00 0.00 C ATOM 1592 CD GLU B 62 5.461 -10.102 -8.864 1.00 0.00 C ATOM 1593 OE1 GLU B 62 4.714 -9.808 -9.817 1.00 0.00 O ATOM 1594 OE2 GLU B 62 5.233 -11.060 -8.097 1.00 0.00 O ATOM 0 H GLU B 62 7.602 -8.094 -5.997 1.00 0.00 H new ATOM 0 HA GLU B 62 8.262 -6.908 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.606 -7.836 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU B 62 5.904 -7.332 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.311 -9.259 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU B 62 7.289 -9.709 -7.829 1.00 0.00 H new ATOM 1601 N ASP B 63 6.470 -5.563 -6.172 1.00 0.00 N ATOM 1602 CA ASP B 63 5.965 -4.304 -5.616 1.00 0.00 C ATOM 1603 C ASP B 63 7.060 -3.255 -5.463 1.00 0.00 C ATOM 1604 O ASP B 63 6.774 -2.062 -5.483 1.00 0.00 O ATOM 1605 CB ASP B 63 5.291 -4.536 -4.264 1.00 0.00 C ATOM 1606 CG ASP B 63 3.873 -5.052 -4.400 1.00 0.00 C ATOM 1607 OD1 ASP B 63 2.959 -4.238 -4.664 1.00 0.00 O ATOM 1608 OD2 ASP B 63 3.669 -6.271 -4.231 1.00 0.00 O ATOM 0 H ASP B 63 6.287 -6.378 -5.587 1.00 0.00 H new ATOM 0 HA ASP B 63 5.233 -3.925 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP B 63 5.879 -5.249 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.281 -3.602 -3.702 1.00 0.00 H new ATOM 1613 N LEU B 64 8.304 -3.687 -5.272 1.00 0.00 N ATOM 1614 CA LEU B 64 9.419 -2.755 -5.140 1.00 0.00 C ATOM 1615 C LEU B 64 9.487 -1.812 -6.340 1.00 0.00 C ATOM 1616 O LEU B 64 9.608 -0.597 -6.172 1.00 0.00 O ATOM 1617 CB LEU B 64 10.730 -3.528 -4.991 1.00 0.00 C ATOM 1618 CG LEU B 64 11.090 -3.910 -3.556 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.125 -5.022 -3.539 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.603 -2.693 -2.802 1.00 0.00 C ATOM 0 H LEU B 64 8.564 -4.671 -5.206 1.00 0.00 H new ATOM 0 HA LEU B 64 9.261 -2.150 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.669 -4.437 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.539 -2.927 -5.406 1.00 0.00 H new ATOM 0 HG LEU B 64 10.191 -4.275 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.367 -5.278 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.725 -5.900 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.027 -4.687 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.856 -2.978 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.490 -2.303 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.830 -1.924 -2.783 1.00 0.00 H new ATOM 1632 N GLU B 65 9.462 -2.396 -7.541 1.00 0.00 N ATOM 1633 CA GLU B 65 9.475 -1.629 -8.792 1.00 0.00 C ATOM 1634 C GLU B 65 8.536 -0.417 -8.731 1.00 0.00 C ATOM 1635 O GLU B 65 8.854 0.635 -9.280 1.00 0.00 O ATOM 1636 CB GLU B 65 9.127 -2.539 -9.988 1.00 0.00 C ATOM 1637 CG GLU B 65 7.656 -2.540 -10.387 1.00 0.00 C ATOM 1638 CD GLU B 65 7.367 -1.681 -11.606 1.00 0.00 C ATOM 1639 OE1 GLU B 65 8.100 -0.698 -11.845 1.00 0.00 O ATOM 1640 OE2 GLU B 65 6.401 -1.991 -12.337 1.00 0.00 O ATOM 0 H GLU B 65 9.432 -3.407 -7.675 1.00 0.00 H new ATOM 0 HA GLU B 65 10.485 -1.244 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU B 65 9.721 -2.228 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU B 65 9.424 -3.560 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.342 -3.564 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU B 65 7.058 -2.183 -9.548 1.00 0.00 H new ATOM 1647 N GLU B 66 7.389 -0.568 -8.061 1.00 0.00 N ATOM 1648 CA GLU B 66 6.409 0.512 -7.909 1.00 0.00 C ATOM 1649 C GLU B 66 7.048 1.813 -7.420 1.00 0.00 C ATOM 1650 O GLU B 66 6.665 2.898 -7.853 1.00 0.00 O ATOM 1651 CB GLU B 66 5.320 0.085 -6.922 1.00 0.00 C ATOM 1652 CG GLU B 66 3.993 -0.268 -7.568 1.00 0.00 C ATOM 1653 CD GLU B 66 2.974 0.841 -7.419 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.297 0.897 -6.367 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.855 1.665 -8.345 1.00 0.00 O ATOM 0 H GLU B 66 7.114 -1.440 -7.610 1.00 0.00 H new ATOM 0 HA GLU B 66 5.981 0.701 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.676 -0.777 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.159 0.891 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU B 66 4.150 -0.476 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU B 66 3.603 -1.181 -7.118 1.00 0.00 H new ATOM 1662 N ALA B 67 8.033 1.701 -6.536 1.00 0.00 N ATOM 1663 CA ALA B 67 8.701 2.876 -5.982 1.00 0.00 C ATOM 1664 C ALA B 67 9.915 3.286 -6.813 1.00 0.00 C ATOM 1665 O ALA B 67 10.701 4.142 -6.402 1.00 0.00 O ATOM 1666 CB ALA B 67 9.115 2.610 -4.545 1.00 0.00 C ATOM 0 H ALA B 67 8.387 0.810 -6.187 1.00 0.00 H new ATOM 0 HA ALA B 67 7.991 3.703 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.612 3.492 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA B 67 8.231 2.385 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.799 1.762 -4.514 1.00 0.00 H new ATOM 1672 N GLY B 68 10.070 2.672 -7.975 1.00 0.00 N ATOM 1673 CA GLY B 68 11.186 2.996 -8.838 1.00 0.00 C ATOM 1674 C GLY B 68 12.347 2.041 -8.663 1.00 0.00 C ATOM 1675 O GLY B 68 13.351 2.134 -9.367 1.00 0.00 O ATOM 0 H GLY B 68 9.442 1.954 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY B 68 10.856 2.976 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.520 4.012 -8.629 1.00 0.00 H new ATOM 1679 N VAL B 69 12.212 1.115 -7.726 1.00 0.00 N ATOM 1680 CA VAL B 69 13.263 0.142 -7.467 1.00 0.00 C ATOM 1681 C VAL B 69 13.194 -0.992 -8.485 1.00 0.00 C ATOM 1682 O VAL B 69 12.701 -2.079 -8.193 1.00 0.00 O ATOM 1683 CB VAL B 69 13.172 -0.435 -6.036 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.468 -1.138 -5.657 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.844 0.660 -5.030 1.00 0.00 C ATOM 0 H VAL B 69 11.388 1.016 -7.134 1.00 0.00 H new ATOM 0 HA VAL B 69 14.218 0.660 -7.560 1.00 0.00 H new ATOM 0 HB VAL B 69 12.365 -1.167 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.383 -1.537 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.657 -1.954 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.293 -0.427 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.785 0.230 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.625 1.420 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.887 1.115 -5.286 1.00 0.00 H new ATOM 1695 N GLN B 70 13.673 -0.719 -9.690 1.00 0.00 N ATOM 1696 CA GLN B 70 13.670 -1.705 -10.765 1.00 0.00 C ATOM 1697 C GLN B 70 15.071 -2.269 -10.970 1.00 0.00 C ATOM 1698 O GLN B 70 15.367 -2.893 -11.991 1.00 0.00 O ATOM 1699 CB GLN B 70 13.155 -1.071 -12.060 1.00 0.00 C ATOM 1700 CG GLN B 70 11.794 -0.410 -11.908 1.00 0.00 C ATOM 1701 CD GLN B 70 11.358 0.343 -13.150 1.00 0.00 C ATOM 1702 OE1 GLN B 70 12.185 0.830 -13.921 1.00 0.00 O ATOM 1703 NE2 GLN B 70 10.053 0.447 -13.347 1.00 0.00 N ATOM 0 H GLN B 70 14.072 0.183 -9.950 1.00 0.00 H new ATOM 0 HA GLN B 70 13.005 -2.523 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN B 70 13.875 -0.329 -12.404 1.00 0.00 H new ATOM 0 HB3 GLN B 70 13.094 -1.838 -12.832 1.00 0.00 H new ATOM 0 HG2 GLN B 70 11.051 -1.172 -11.672 1.00 0.00 H new ATOM 0 HG3 GLN B 70 11.823 0.279 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN B 70 9.402 0.028 -12.683 1.00 0.00 H new ATOM 0 HE22 GLN B 70 9.699 0.946 -14.163 1.00 0.00 H new ATOM 1712 N ASP B 71 15.925 -2.045 -9.983 1.00 0.00 N ATOM 1713 CA ASP B 71 17.301 -2.518 -10.028 1.00 0.00 C ATOM 1714 C ASP B 71 17.430 -3.843 -9.282 1.00 0.00 C ATOM 1715 O ASP B 71 16.936 -3.978 -8.160 1.00 0.00 O ATOM 1716 CB ASP B 71 18.231 -1.468 -9.419 1.00 0.00 C ATOM 1717 CG ASP B 71 19.674 -1.920 -9.379 1.00 0.00 C ATOM 1718 OD1 ASP B 71 20.379 -1.746 -10.389 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.109 -2.436 -8.329 1.00 0.00 O ATOM 0 H ASP B 71 15.686 -1.534 -9.133 1.00 0.00 H new ATOM 0 HA ASP B 71 17.587 -2.680 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.159 -0.546 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP B 71 17.899 -1.237 -8.407 1.00 0.00 H new ATOM 1724 N PRO B 72 18.091 -4.839 -9.896 1.00 0.00 N ATOM 1725 CA PRO B 72 18.268 -6.171 -9.301 1.00 0.00 C ATOM 1726 C PRO B 72 18.988 -6.144 -7.952 1.00 0.00 C ATOM 1727 O PRO B 72 18.522 -6.747 -6.982 1.00 0.00 O ATOM 1728 CB PRO B 72 19.109 -6.930 -10.338 1.00 0.00 C ATOM 1729 CG PRO B 72 19.707 -5.877 -11.208 1.00 0.00 C ATOM 1730 CD PRO B 72 18.722 -4.746 -11.223 1.00 0.00 C ATOM 0 HA PRO B 72 17.304 -6.633 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO B 72 19.883 -7.527 -9.856 1.00 0.00 H new ATOM 0 HB3 PRO B 72 18.492 -7.616 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO B 72 20.671 -5.550 -10.818 1.00 0.00 H new ATOM 0 HG3 PRO B 72 19.882 -6.256 -12.215 1.00 0.00 H new ATOM 0 HD2 PRO B 72 19.214 -3.784 -11.370 1.00 0.00 H new ATOM 0 HD3 PRO B 72 17.993 -4.857 -12.025 1.00 0.00 H new ATOM 1738 N ALA B 73 20.108 -5.435 -7.891 1.00 0.00 N ATOM 1739 CA ALA B 73 20.897 -5.349 -6.665 1.00 0.00 C ATOM 1740 C ALA B 73 20.119 -4.668 -5.544 1.00 0.00 C ATOM 1741 O ALA B 73 20.077 -5.166 -4.419 1.00 0.00 O ATOM 1742 CB ALA B 73 22.203 -4.613 -6.928 1.00 0.00 C ATOM 0 H ALA B 73 20.492 -4.910 -8.676 1.00 0.00 H new ATOM 0 HA ALA B 73 21.121 -6.365 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.781 -4.556 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.777 -5.149 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.988 -3.605 -7.284 1.00 0.00 H new ATOM 1748 N HIS B 74 19.494 -3.543 -5.859 1.00 0.00 N ATOM 1749 CA HIS B 74 18.725 -2.787 -4.872 1.00 0.00 C ATOM 1750 C HIS B 74 17.591 -3.621 -4.283 1.00 0.00 C ATOM 1751 O HIS B 74 17.397 -3.640 -3.067 1.00 0.00 O ATOM 1752 CB HIS B 74 18.167 -1.507 -5.494 1.00 0.00 C ATOM 1753 CG HIS B 74 19.186 -0.418 -5.633 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.168 -0.402 -6.596 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.360 0.710 -4.903 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.893 0.709 -6.428 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.444 1.422 -5.413 1.00 0.00 N ATOM 0 H HIS B 74 19.502 -3.130 -6.792 1.00 0.00 H new ATOM 0 HA HIS B 74 19.403 -2.523 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.758 -1.739 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.341 -1.145 -4.882 1.00 0.00 H new ATOM 0 HD1 HIS B 74 20.317 -1.113 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.755 1.010 -4.060 1.00 0.00 H new ATOM 0 HE1 HIS B 74 21.736 0.986 -7.043 1.00 0.00 H new ATOM 1765 N LYS B 75 16.848 -4.312 -5.141 1.00 0.00 N ATOM 1766 CA LYS B 75 15.741 -5.146 -4.684 1.00 0.00 C ATOM 1767 C LYS B 75 16.253 -6.279 -3.804 1.00 0.00 C ATOM 1768 O LYS B 75 15.762 -6.491 -2.694 1.00 0.00 O ATOM 1769 CB LYS B 75 14.966 -5.723 -5.872 1.00 0.00 C ATOM 1770 CG LYS B 75 14.227 -4.675 -6.689 1.00 0.00 C ATOM 1771 CD LYS B 75 13.078 -5.282 -7.482 1.00 0.00 C ATOM 1772 CE LYS B 75 13.566 -6.303 -8.499 1.00 0.00 C ATOM 1773 NZ LYS B 75 12.975 -7.645 -8.255 1.00 0.00 N ATOM 0 H LYS B 75 16.990 -4.312 -6.151 1.00 0.00 H new ATOM 0 HA LYS B 75 15.068 -4.518 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS B 75 15.660 -6.255 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.248 -6.456 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.841 -3.902 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.924 -4.189 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS B 75 12.377 -5.759 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS B 75 12.533 -4.490 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.308 -5.968 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.653 -6.370 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.163 -8.261 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 13.400 -8.062 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 11.948 -7.553 -8.120 1.00 0.00 H new ATOM 1787 N ARG B 76 17.243 -7.001 -4.316 1.00 0.00 N ATOM 1788 CA ARG B 76 17.842 -8.114 -3.592 1.00 0.00 C ATOM 1789 C ARG B 76 18.351 -7.674 -2.222 1.00 0.00 C ATOM 1790 O ARG B 76 18.106 -8.340 -1.214 1.00 0.00 O ATOM 1791 CB ARG B 76 18.983 -8.727 -4.408 1.00 0.00 C ATOM 1792 CG ARG B 76 19.327 -10.148 -3.998 1.00 0.00 C ATOM 1793 CD ARG B 76 18.205 -11.113 -4.341 1.00 0.00 C ATOM 1794 NE ARG B 76 18.084 -12.184 -3.355 1.00 0.00 N ATOM 1795 CZ ARG B 76 16.931 -12.769 -3.023 1.00 0.00 C ATOM 1796 NH1 ARG B 76 15.788 -12.363 -3.567 1.00 0.00 N ATOM 1797 NH2 ARG B 76 16.918 -13.750 -2.131 1.00 0.00 N ATOM 0 H ARG B 76 17.650 -6.833 -5.236 1.00 0.00 H new ATOM 0 HA ARG B 76 17.070 -8.868 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.710 -8.718 -5.463 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.870 -8.102 -4.303 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.243 -10.461 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.522 -10.181 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.263 -10.567 -4.401 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.386 -11.545 -5.325 1.00 0.00 H new ATOM 0 HE ARG B 76 18.934 -12.505 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG B 76 15.788 -11.599 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG B 76 14.911 -12.815 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG B 76 17.789 -14.058 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG B 76 16.037 -14.197 -1.877 1.00 0.00 H new ATOM 1811 N LEU B 77 19.055 -6.545 -2.185 1.00 0.00 N ATOM 1812 CA LEU B 77 19.595 -6.018 -0.937 1.00 0.00 C ATOM 1813 C LEU B 77 18.485 -5.685 0.052 1.00 0.00 C ATOM 1814 O LEU B 77 18.602 -5.975 1.243 1.00 0.00 O ATOM 1815 CB LEU B 77 20.450 -4.773 -1.199 1.00 0.00 C ATOM 1816 CG LEU B 77 21.966 -5.006 -1.208 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.454 -5.430 0.170 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.345 -6.048 -2.249 1.00 0.00 C ATOM 0 H LEU B 77 19.264 -5.978 -3.007 1.00 0.00 H new ATOM 0 HA LEU B 77 20.222 -6.794 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.159 -4.349 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU B 77 20.219 -4.027 -0.438 1.00 0.00 H new ATOM 0 HG LEU B 77 22.451 -4.066 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.532 -5.590 0.141 1.00 0.00 H new ATOM 0 HD12 LEU B 77 22.222 -4.649 0.894 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.958 -6.355 0.463 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.425 -6.197 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.846 -6.990 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.036 -5.705 -3.236 1.00 0.00 H new ATOM 1830 N LEU B 78 17.406 -5.086 -0.439 1.00 0.00 N ATOM 1831 CA LEU B 78 16.285 -4.723 0.418 1.00 0.00 C ATOM 1832 C LEU B 78 15.675 -5.966 1.063 1.00 0.00 C ATOM 1833 O LEU B 78 15.460 -5.999 2.276 1.00 0.00 O ATOM 1834 CB LEU B 78 15.221 -3.958 -0.375 1.00 0.00 C ATOM 1835 CG LEU B 78 14.236 -3.151 0.476 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.990 -1.785 -0.145 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.924 -3.906 0.641 1.00 0.00 C ATOM 0 H LEU B 78 17.284 -4.843 -1.422 1.00 0.00 H new ATOM 0 HA LEU B 78 16.660 -4.072 1.208 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.722 -3.280 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.658 -4.669 -0.979 1.00 0.00 H new ATOM 0 HG LEU B 78 14.675 -3.007 1.463 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.288 -1.226 0.473 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.932 -1.240 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.574 -1.909 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.238 -3.315 1.249 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.480 -4.083 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.113 -4.861 1.131 1.00 0.00 H new ATOM 1849 N LEU B 79 15.403 -6.984 0.249 1.00 0.00 N ATOM 1850 CA LEU B 79 14.831 -8.233 0.747 1.00 0.00 C ATOM 1851 C LEU B 79 15.716 -8.861 1.821 1.00 0.00 C ATOM 1852 O LEU B 79 15.218 -9.368 2.829 1.00 0.00 O ATOM 1853 CB LEU B 79 14.621 -9.226 -0.399 1.00 0.00 C ATOM 1854 CG LEU B 79 13.162 -9.441 -0.807 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.667 -8.287 -1.666 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.007 -10.765 -1.541 1.00 0.00 C ATOM 0 H LEU B 79 15.569 -6.969 -0.757 1.00 0.00 H new ATOM 0 HA LEU B 79 13.866 -7.995 1.194 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.179 -8.878 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.048 -10.187 -0.111 1.00 0.00 H new ATOM 0 HG LEU B 79 12.553 -9.475 0.096 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.628 -8.461 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.741 -7.357 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.277 -8.216 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.964 -10.904 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.629 -10.760 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.317 -11.581 -0.889 1.00 0.00 H new ATOM 1868 N ASP B 80 17.023 -8.817 1.605 1.00 0.00 N ATOM 1869 CA ASP B 80 17.979 -9.375 2.559 1.00 0.00 C ATOM 1870 C ASP B 80 17.974 -8.563 3.853 1.00 0.00 C ATOM 1871 O ASP B 80 18.047 -9.115 4.954 1.00 0.00 O ATOM 1872 CB ASP B 80 19.384 -9.390 1.952 1.00 0.00 C ATOM 1873 CG ASP B 80 20.332 -10.311 2.695 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.313 -11.534 2.429 1.00 0.00 O ATOM 1875 OD2 ASP B 80 21.113 -9.819 3.531 1.00 0.00 O ATOM 0 H ASP B 80 17.449 -8.401 0.777 1.00 0.00 H new ATOM 0 HA ASP B 80 17.684 -10.399 2.788 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.322 -9.703 0.910 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.789 -8.378 1.957 1.00 0.00 H new ATOM 1880 N THR B 81 17.855 -7.248 3.709 1.00 0.00 N ATOM 1881 CA THR B 81 17.832 -6.345 4.853 1.00 0.00 C ATOM 1882 C THR B 81 16.579 -6.558 5.699 1.00 0.00 C ATOM 1883 O THR B 81 16.626 -6.441 6.924 1.00 0.00 O ATOM 1884 CB THR B 81 17.904 -4.875 4.398 1.00 0.00 C ATOM 1885 OG1 THR B 81 19.028 -4.700 3.532 1.00 0.00 O ATOM 1886 CG2 THR B 81 18.033 -3.932 5.587 1.00 0.00 C ATOM 0 H THR B 81 17.773 -6.782 2.806 1.00 0.00 H new ATOM 0 HA THR B 81 18.708 -6.571 5.461 1.00 0.00 H new ATOM 0 HB THR B 81 16.980 -4.637 3.871 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.812 -5.048 2.642 1.00 0.00 H new ATOM 0 HG21 THR B 81 18.081 -2.903 5.231 1.00 0.00 H new ATOM 0 HG22 THR B 81 17.169 -4.050 6.240 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.942 -4.167 6.141 1.00 0.00 H new ATOM 1894 N LEU B 82 15.461 -6.869 5.039 1.00 0.00 N ATOM 1895 CA LEU B 82 14.198 -7.114 5.729 1.00 0.00 C ATOM 1896 C LEU B 82 14.361 -8.182 6.805 1.00 0.00 C ATOM 1897 O LEU B 82 13.818 -8.062 7.899 1.00 0.00 O ATOM 1898 CB LEU B 82 13.119 -7.552 4.734 1.00 0.00 C ATOM 1899 CG LEU B 82 12.461 -6.424 3.934 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.577 -6.999 2.839 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.646 -5.524 4.851 1.00 0.00 C ATOM 0 H LEU B 82 15.408 -6.957 4.024 1.00 0.00 H new ATOM 0 HA LEU B 82 13.893 -6.181 6.204 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.562 -8.260 4.033 1.00 0.00 H new ATOM 0 HB3 LEU B 82 12.342 -8.087 5.280 1.00 0.00 H new ATOM 0 HG LEU B 82 13.246 -5.826 3.472 1.00 0.00 H new ATOM 0 HD11 LEU B 82 11.116 -6.185 2.279 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.181 -7.607 2.165 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.799 -7.618 3.287 1.00 0.00 H new ATOM 0 HD21 LEU B 82 11.186 -4.728 4.265 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.868 -6.111 5.340 1.00 0.00 H new ATOM 0 HD23 LEU B 82 12.299 -5.087 5.606 1.00 0.00 H new ATOM 1913 N GLN B 83 15.120 -9.219 6.486 1.00 0.00 N ATOM 1914 CA GLN B 83 15.355 -10.306 7.424 1.00 0.00 C ATOM 1915 C GLN B 83 16.371 -9.895 8.485 1.00 0.00 C ATOM 1916 O GLN B 83 16.169 -10.128 9.676 1.00 0.00 O ATOM 1917 CB GLN B 83 15.853 -11.549 6.681 1.00 0.00 C ATOM 1918 CG GLN B 83 14.927 -11.999 5.562 1.00 0.00 C ATOM 1919 CD GLN B 83 15.408 -13.263 4.873 1.00 0.00 C ATOM 1920 OE1 GLN B 83 16.608 -13.522 4.782 1.00 0.00 O ATOM 1921 NE2 GLN B 83 14.469 -14.056 4.381 1.00 0.00 N ATOM 0 H GLN B 83 15.584 -9.331 5.585 1.00 0.00 H new ATOM 0 HA GLN B 83 14.412 -10.539 7.918 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.839 -11.343 6.265 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.972 -12.365 7.394 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.930 -12.169 5.968 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.839 -11.200 4.826 1.00 0.00 H new ATOM 0 HE21 GLN B 83 13.486 -13.803 4.478 1.00 0.00 H new ATOM 0 HE22 GLN B 83 14.729 -14.920 3.905 1.00 0.00 H new ATOM 1930 N LEU B 84 17.467 -9.295 8.036 1.00 0.00 N ATOM 1931 CA LEU B 84 18.544 -8.853 8.919 1.00 0.00 C ATOM 1932 C LEU B 84 18.088 -7.832 9.970 1.00 0.00 C ATOM 1933 O LEU B 84 18.295 -8.037 11.166 1.00 0.00 O ATOM 1934 CB LEU B 84 19.670 -8.252 8.074 1.00 0.00 C ATOM 1935 CG LEU B 84 20.971 -7.953 8.820 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.642 -9.240 9.272 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.908 -7.141 7.941 1.00 0.00 C ATOM 0 H LEU B 84 17.636 -9.100 7.049 1.00 0.00 H new ATOM 0 HA LEU B 84 18.891 -9.730 9.466 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.891 -8.937 7.256 1.00 0.00 H new ATOM 0 HB3 LEU B 84 19.309 -7.326 7.626 1.00 0.00 H new ATOM 0 HG LEU B 84 20.732 -7.367 9.707 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.565 -9.003 9.800 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.973 -9.785 9.938 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.870 -9.856 8.402 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.830 -6.935 8.485 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.138 -7.704 7.037 1.00 0.00 H new ATOM 0 HD23 LEU B 84 21.429 -6.200 7.670 1.00 0.00 H new